SCHEMBL7843623

SCHEMBL7843623

N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(NN)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
Hydrochloric Acid SCHEMBL28619070 0.98 MEN1 (0.44) MEN1KMT2ANR1I2ALDH1A1L3MBTL1
SCHEMBL7917739 0.90 MEN1 (0.39) MEN1KMT2ANR1I2ALDH1A1L3MBTL1
SCHEMBL7837943 0.86 SLC6A3 (0.41) MEN1KMT2ANR1I2GAANPC1
SCHEMBL8145600 0.81 MEN1 (0.48) MEN1KMT2ANR1I2ALDH1A1L3MBTL1
SCHEMBL7825067 0.74 ALDH1A1 (0.60) MEN1KMT2ANR1I2ALDH1A1L3MBTL1
SCHEMBL7917040 0.74 SLC6A4 (0.40) MEN1KMT2AALDH1A1CYP2C9CYP1A2
SCHEMBL7919571 0.73 ALDH1A1 (0.36) MEN1KMT2ANR1I2ALDH1A1L3MBTL1
SCHEMBL7922556 0.72 TSHR (0.41) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL8147067 0.72 MEN1 (0.46) MEN1KMT2ANR1I2ALDH1A1L3MBTL1
SCHEMBL10420876 0.72 ALDH1A1 (0.41) MEN1KMT2ANR1I2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248454-B Method for preparing 2- [ phenyl ] -1,2, 4-triazine-3, 5(2H,4H) -diketone compound 山东国邦药业有限公司 2021-09-24 CN disclosed
CN-113248454-A Method for preparing 2- [ phenyl ] -1,2, 4-triazine-3, 5(2H,4H) -diketone compound 山东国邦药业有限公司 2021-08-13 CN disclosed
EP-0737672-B1 Method of producing triazine derivatives TAKEDA SCHERING PLOUGH ANIMAL (JP) 2001-10-04 EP disclosed
US-6211178-B1 ANTIPROTOZOA AGENTS FOR COCCIDIOIDES; CYCLIZATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
US-5994355-A ANTIPROTOZOA AGENTS, PARASITICIDE; VETERINARY MEDICINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP disclosed
EP-0737672-A2 Method of producing triazine derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-16 EP disclosed
EP-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed