SCHEMBL13744155

SCHEMBL13744155

Cc1c(C(C)C)sc2c1CCNC2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.38
SIGMAR1 Q99720 12/20 0.36
PNMT P11086 1/20 0.36
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 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
SCHEMBL13241577 0.87 PNMT (0.33) PNMT
SCHEMBL13328155 0.82 SIGMAR1 (0.36) ADORA1SIGMAR1PNMTPTPRCPTPN2
SCHEMBL13030302 0.79 ADORA1 (0.43) ADORA1SIGMAR1PNMTPTPRCPTPN2
SCHEMBL22313333 0.78 ADORA1 (0.39) ADORA1SIGMAR1PTPRCPTPN2PTPN1
SCHEMBL1292073 0.74 ADORA1 (0.48) ADORA1SIGMAR1PNMTPTPRCPTPN2
SCHEMBL13832365 0.74 ADORA1 (0.40) ADORA1SIGMAR1PNMTPTPRCPTPN2
SCHEMBL13360470 0.73 HSD17B10 (0.36)
SCHEMBL19359600 0.73 ALDH1A1 (0.33)
SCHEMBL13360484 0.72 ALOX15 (0.35)
SCHEMBL13360490 0.69 KDM4E (0.37) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed