SCHEMBL625919

SCHEMBL625919

NC(=O)NCc1ccc(Cl)nc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 1/20 0.61
RECQL P46063 1/20 0.54
FPR2 P25090 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51
NAMPT P43490 2/20 0.50
FAAH O00519 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HDAC1 Q13547 2/20 0.48
OXTR P30559 1/20 0.44
AVPR1A P37288 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL3704245 0.84 L3MBTL1 (0.56) CYP2C9FPR2L3MBTL1KDM4EGAA
SCHEMBL29811285 0.83 ALDH1A1 (0.57) CYP2C9FPR2L3MBTL1KDM4EGAA
SCHEMBL2632301 0.83 ALDH1A1 (0.57) CYP2C9FPR2L3MBTL1KDM4EGAA
SCHEMBL19078878 0.81 GABRP (0.56) CYP2C9CYP2C19RECQLNAMPTHDAC1
SCHEMBL5012151 0.80 FAAH (0.61) CYP2C9L3MBTL1KDM4EGAAMAPT
SCHEMBL27566380 0.80 FPR2 (0.46) CYP2C9FPR2L3MBTL1KDM4EGAA
SCHEMBL20037838 0.79 RECQL (0.58) CYP2C9CYP2C19RECQLFPR2L3MBTL1
SCHEMBL8194183 0.79 ALDH1A1 (0.49) CYP2C9FPR2L3MBTL1KDM4EGAA
SCHEMBL1697057 0.79 L3MBTL1 (0.48) CYP2C9FPR2L3MBTL1KDM4EGAA
SCHEMBL19323949 0.79 ALDH1A1 (0.53) CYP2C9FPR2L3MBTL1KDM4EGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020222-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO claimed
WO-2012020222-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
EP-0383091-B1 Insecticidally active nitro compounds BAYER AGROCHEM KK (JP) 1993-11-10 EP disclosed
US-5204359-A Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5084467-A INSECTICIDALLY ACTIVE NITRO GUANIDINE COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-01-28 US disclosed
EP-0383091-A1 Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-08-22 EP disclosed