SCHEMBL12335757

SCHEMBL12335757

Cc1nc(O)c(-c2sc(C)nc2O)s1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.61
COMT P21964 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK4 P11802 3/20 0.31
CDK2 P24941 2/20 0.31
CCNE1 P24864 1/20 0.31
GAA P10253 1/20 0.31
PLK1 P53350 1/20 0.31

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
SCHEMBL6240439 0.77
SCHEMBL20439962 0.72
SCHEMBL12537263 0.69 COMT (0.52) ALOX5COMTLMNAHTTNPC1
SCHEMBL18400504 0.69 ALOX5 (0.39) ALOX5
SCHEMBL12890180 0.67
SCHEMBL16284914 0.65 ALOX5 (0.36) ALOX5COMTLMNAHTTNPC1
SCHEMBL20439926 0.63
SCHEMBL15001035 0.63 CCNE1 (0.41) ALOX5COMTLMNAHTTNPC1
SCHEMBL12973032 0.61 CDK4 (0.45) ALOX5LMNAHTTCDK4
SCHEMBL13470368 0.61 CDK4 (0.45) ALOX5LMNAHTTCDK4

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
WO-2011119446-A1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME POLYERA CORPORATION (US) 2011-09-29 WO disclosed