SCHEMBL3882745

SCHEMBL3882745

Cc1c(SC#N)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 2/20 0.54
BCHE P06276 1/20 0.54
PTGS2 P35354 1/20 0.54
LMNA P02545 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
TSHR P16473 3/20 0.51
CYP1A2 P05177 2/20 0.51
THRB P10828 1/20 0.51
NAPRT Q6XQN6 1/20 0.51
GAA P10253 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL536896 0.98 CYP19A1 (0.55) CYP19A1ALDH1A1ALOX15BCHEPTGS2
SCHEMBL9809125 0.88 CYP19A1 (0.44) CYP19A1ALDH1A1ALOX15BCHEPTGS2
SCHEMBL9809107 0.85 CYP19A1 (0.43) CYP19A1ALDH1A1ALOX15BCHEPTGS2
SCHEMBL9809064 0.84 NOX4 (0.45) CYP19A1ALDH1A1ALOX15BCHEPTGS2
SCHEMBL9809063 0.84 BCHE (0.49) CYP19A1ALDH1A1ALOX15BCHEPTGS2
SCHEMBL9809065 0.82 ALOX15 (0.62) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL9809114 0.82 CYP19A1 (0.43) CYP19A1ALDH1A1ALOX15BCHEPTGS2
SCHEMBL9809067 0.81 CYP19A1 (0.42) CYP19A1ALDH1A1ALOX15BCHEPTGS2
SCHEMBL9809117 0.81 CYP19A1 (0.45) CYP19A1ALDH1A1ALOX15BCHEPTGS2
SCHEMBL9809069 0.80 ALOX15 (0.58) ALDH1A1ALOX15BCHEPTGS2LMNA

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-1842688-B1 HEAT-SENSITIVE RECORDING MATERIAL OJI PAPER CO (JP) 2009-10-07 EP claimed
US-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed
US-4636819-A SUPPORT, LEUCO DYE, DEVELOPER, WATER SOLUBLE RESIN RICOH COMPANY, LTD. (JP) 1987-01-13 US disclosed
US-4608579-A LEUCO DYE AND ZINC THIOCYANATE ANTIPYRINE COMPLEX RICOH COMPANY, LTD. (JP) 1986-08-26 US disclosed