SCHEMBL8317776

SCHEMBL8317776

COCCCNc1cc(C)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KAT2B Q92831 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL14616763 0.90 PTGER4 (0.50) PTGER4SMN1; SMN2LMNAHTTHDAC6
SCHEMBL740982 0.87 PTGER4 (0.61) PTGER4SMN1; SMN2LMNAHTTHDAC6
SCHEMBL763898 0.84 PTGER4 (0.48) PTGER4SMN1; SMN2HTTALDH1A1MEN1
SCHEMBL3775668 0.83 PTGER4 (0.47) PTGER4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL7745707 0.83 PTGER4 (0.47) PTGER4SMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL742145 0.83 PTGER4 (0.47) PTGER4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL2344181 0.81 HDAC6 (0.49) SMN1; SMN2HDAC6ALDH1A1L3MBTL1KAT2B
SCHEMBL7136396 0.81 KAT2B (0.57) SMN1; SMN2HDAC6KAT2BTP53CYP3A4
SCHEMBL13433960 0.81 LMNA (0.55) SMN1; SMN2LMNAHTTALDH1A1MEN1
SCHEMBL10181982 0.81 HTT (0.48) PTGER4SMN1; SMN2LMNAHTTALDH1A1

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
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
CN-1066849-A Three ring triazolo derivatives, its Manufacturing approach and use TORAY INDUSTRIES (JP) 1992-12-09 CN disclosed