SCHEMBL742145

SCHEMBL742145

COCCCNc1cc(Cl)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.47
HTT P42858 4/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 5/20 0.41
ALPG P10696 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
EIF2AK2 P19525 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL763898 0.83 PTGER4 (0.48) PTGER4HTTMAPK1SMN1; SMN2HSD17B10
SCHEMBL8317776 0.83 PTGER4 (0.51) PTGER4HTTLMNASMN1; SMN2HSD17B10
SCHEMBL16301229 0.83 LMNA (0.50) PTGER4HTTLMNAMAPK1SMN1; SMN2
SCHEMBL1307864 0.82 HTT (0.46) PTGER4HTTLMNAMAPK1SMN1; SMN2
SCHEMBL7745707 0.81 PTGER4 (0.47) PTGER4HTTSMN1; SMN2HSD17B10KDM4E
SCHEMBL3775668 0.81 PTGER4 (0.47) PTGER4HTTLMNASMN1; SMN2HSD17B10
SCHEMBL12120278 0.80 HTT (0.47) PTGER4HTTLMNAMAPK1SMN1; SMN2
SCHEMBL12113623 0.79 HTT (0.43) PTGER4HTTLMNAMAPK1SMN1; SMN2
SCHEMBL11198510 0.79 CDK1 (0.42) SMN1; SMN2TDP1ALDH1A1
SCHEMBL2219091 0.78 HDAC3 (0.46) PTGER4SMN1; SMN2KDM4EMEN1KMT2A

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed