SCHEMBL234986

SCHEMBL234986

CNC(=N[N+](=O)[O-])NCc1ccc(Cl)nc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
CYP2C9 P11712 2/20 0.41
FAAH O00519 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL234985 1.00 NAMPT (0.41) NAMPTCYP2C9FAAHALDH1A1KDM4E
SCHEMBL7639531 0.92 NAMPT (0.44) NAMPTCYP2C9FAAHALDH1A1KDM4E
SCHEMBL9042892 0.89 CHRNB2 (0.38) NAMPTCYP2C9FAAHALDH1A1KDM4E
SCHEMBL9042886 0.89 CHRNB2 (0.38) NAMPTCYP2C9FAAHALDH1A1KDM4E
SCHEMBL7644677 0.89 FAAH (0.43) NAMPTCYP2C9FAAHALDH1A1KDM4E
SCHEMBL7644681 0.89 FAAH (0.43) NAMPTCYP2C9FAAHALDH1A1KDM4E
SCHEMBL8867156 0.86 ALDH1A1 (0.42) NAMPTCYP2C9FAAHALDH1A1KDM4E
SCHEMBL9026957 0.86 FAAH (0.44) NAMPTCYP2C9FAAHALDH1A1KDM4E
SCHEMBL13240165 0.86 ALDH1A1 (0.39) NAMPTCYP2C9FAAHALDH1A1KDM4E
SCHEMBL8867144 0.86 ALDH1A1 (0.42) NAMPTCYP2C9FAAHALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873325-B1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP claimed
CN-1060615-C Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-17 CN claimed
US-6140350-A APPLYING NEONICOTINOID COMPOUND FOR CONTROLLING ECTOPARASITES THROUGH BLOOD OF A HOST ANIMAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 US claimed
CN-1044071-C Insecticidal agents NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1999-07-14 CN claimed
EP-0873325-A1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1998-10-28 EP claimed
CN-1188475-A Guanidine derivatives, intermediates thereof and process for preparing products thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-22 CN claimed
US-RE35811-E PESTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-26 US claimed
WO-1997000867-A1 PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-09 WO claimed
EP-0375907-B1 Insecticidally active nitro compounds BAYER AGROCHEM KK (JP) 1996-01-03 EP claimed
CN-1026981-C Process for the preparation of guanidine derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-12-14 CN claimed
CN-1077843-A GUANIDINE DERIVATIVES, THEIR PRODUCTION AND INSECTICIDES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-11-03 CN claimed
US-5166164-A Nontoxic to mammals, fish, and crustaceans; nonphytotoxic AGRO-KANESHO CO., LTD. (JP) 1992-11-24 US claimed
EP-0493369-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1992-07-01 EP claimed
CN-1061598-A Hydrazine class compound or its salt, its preparation method and contain the sterilant of this compounds ISHIHRA SANGYO KAISHA LTD (JP) 1992-06-03 CN claimed
EP-0483647-A1 Hydrazine compounds or their salts, processes for producing them and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-05-06 EP claimed
US-5051434-A Pyridyl, thiazolyl, thiadiazolyl, pyrimidinyl or isooxazolyl groups NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-09-24 US claimed
CN-1045333-A Insecticide NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1990-09-19 CN claimed
CN-1045261-A Guanidine derivatives, their production and pesticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-09-12 CN claimed
EP-0376279-A2 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP claimed
EP-0375907-A1 Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-07-04 EP claimed