SCHEMBL13337183

SCHEMBL13337183

Cc1cc(CNc2ccccc2)c(C)s1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13337186 0.83 ADRA2B (0.45) MAPTMEN1KMT2A
SCHEMBL13337180 0.77 TP53 (0.56) HTTMAPTPKML3MBTL1MEN1
SCHEMBL10055007 0.75 ALDH1A1 (0.54) HTTMAPTHPGDMAOBPKM
SCHEMBL13337164 0.72 PRMT6 (0.43) HTTMAPTHPGDMEN1CYP2C9
SCHEMBL10055008 0.71 MAPT (0.53) HTTMAPTHPGDMAOBL3MBTL1
SCHEMBL11080258 0.71 MAPT (0.52) HTTMAPTHPGDMEN1KMT2A
SCHEMBL2718601 0.70 TP53 (0.61) HTTMAPTL3MBTL1MEN1KMT2A
SCHEMBL27588129 0.69 AKR1C3 (0.44) HTTMAPTHPGDPKMMEN1
Ethylamine SCHEMBL10588560 0.68 HTT (0.39) HTTMAPTHPGDMAOBPKM
SCHEMBL24426837 0.68 HTT (0.42) HTTMAPTMAOBMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718999-B2 Polythiophene electronic devices XEROX CORPORATION (US) 2010-05-18 US disclosed
US-20080142788-A1 Polythiophene electronic devices XEROX CORPORATION 2008-06-19 US disclosed