SCHEMBL7910062

SCHEMBL7910062

O=c1nc(Cl)cnn1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
GRM5 P41594 1/20 0.33
MITF O75030 1/20 0.33
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL7917605 0.83 SMN1; SMN2 (0.53) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL7910204 0.79 NPBWR1 (0.49) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL7919778 0.76 NPSR1 (0.48) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL7919792 0.68 MEN1 (0.56) THRB
SCHEMBL11284453 0.68 ATM (0.40) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL1750028 0.68 NPBWR1 (0.39) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL4062470 0.68 NPBWR1 (0.42) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL1751460 0.67 RAB9A (0.62) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL10395039 0.66 NOTUM (0.42) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL7922440 0.66 KMT2A (0.41) NPBWR1MCHR1LMNAALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed