SCHEMBL7960922

SCHEMBL7960922

Cc1ccc2c3c1cc(C(=O)NC(=N)N)n3CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
MCL1 Q07820 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 5/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
BCL2L1 Q07817 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
SCHEMBL8416146 0.96 HPGD (0.38) HSD17B10MCL1HPGDALDH1A1USP2
SCHEMBL7955974 0.84 KMT2A (0.37) HSD17B10MCL1HPGDALDH1A1USP2
SCHEMBL7946950 0.82 MAPT (0.33) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL7960887 0.81 MAPK14 (0.30)
SCHEMBL27491189 0.80 MCL1 (0.62) HSD17B10MCL1HPGDALDH1A1USP2
SCHEMBL7954247 0.80 GAA (0.34) MCL1HPGDALDH1A1KMT2AGAA
SCHEMBL7960925 0.80 HPGD (0.42) HSD17B10MCL1HPGDALDH1A1USP2
SCHEMBL8417288 0.79 CNR2 (0.35) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL7956111 0.79 MCL1 (0.58) HSD17B10MCL1HPGDALDH1A1USP2
SCHEMBL7960928 0.77 F10 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed