SCHEMBL7181286

SCHEMBL7181286

C(=CN(c1ccccc1)c1ccccc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ARG2 P78540 1/20 0.45
TOP1 P11387 1/20 0.38
KCNH2 Q12809 2/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.35
CALM1 P0DP23 1/20 0.35
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IDO1 P14902 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
SCHEMBL5831023 0.77 MAOB (0.50) MAOBCA1CA2ARG2KCNH2
SCHEMBL7980743 0.76 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL6662115 0.76 ALDH1A1 (0.38) MAOBKCNH2TSHRALDH1A1
SCHEMBL7980741 0.76 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL1524697 0.75 MAOB (1.00) MAOBCA1CA2ARG2TOP1
SCHEMBL155054 0.75 MAOB (1.00) MAOBCA1CA2ARG2TOP1
SCHEMBL155055 0.75 MAOB (1.00) MAOBCA1CA2ARG2TOP1
SCHEMBL10706531 0.75 ALDH1A1 (0.39) CA1CA2HSP90AA1ALDH1A1
SCHEMBL6668054 0.72 MAOB (0.56) MAOBCA1CA2ARG2TOP1
SCHEMBL9983229 0.71 MAOB (0.54) MAOBCA1CA2ARG2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771809-B1 Method of manufacturing a polysiloxane charge transporting material DOW CORNING ASIA LTD (JP) 2003-04-02 EP disclosed
EP-0771806-B1 Silicon containing charge transport compounds DOW CORNING ASIA LTD (JP) 2002-02-27 EP disclosed
US-5840816-A Method of manufacturing a polysiloxane charge transporting material DOW CORNING TORAY SILICONE CO., LTD. (JP) 1998-11-24 US disclosed
EP-0771806-A1 Silicon containing charge transport compounds DOW CORNING ASIA, Ltd. (JP) 1997-05-07 EP disclosed
EP-0771809-A1 Method of manufacturing a polysiloxane charge transporting material DOW CORNING ASIA, Ltd. (JP) 1997-05-07 EP disclosed