SCHEMBL19446033

SCHEMBL19446033

Cc1ccc(-c2ccc(C)c(CN=[N+]=[N-])c2)cc1CN=[N+]=[N-]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL16215286 0.95 TAAR1 (0.34) KAT2BTAAR1MCL1PDE2A
SCHEMBL16433534 0.86 TAAR1 (0.47) KAT2BTAAR1MCL1PDE2AALDH1A1
SCHEMBL17146957 0.81 SLC6A4 (0.39) KAT2BTAAR1MCL1PDE2A
SCHEMBL19248859 0.81 CYP3A4 (0.38) KAT2BTAAR1MCL1PDE2AALDH1A1
SCHEMBL16433537 0.78 MCL1 (0.36) KAT2BMCL1PDE2AALDH1A1
SCHEMBL19649802 0.78 ALDH1A1 (0.38) KAT2BALDH1A1CYP3A4TSHR
SCHEMBL15432698 0.78 PDE2A (0.53) PDE2ACYP3A4
SCHEMBL16016173 0.76 TAAR1 (0.42) KAT2BTAAR1ALDH1A1TSHR
SCHEMBL15290182 0.74 PYCR1 (0.39) KAT2BTAAR1MCL1PDE2AALDH1A1
SCHEMBL19445994 0.73 ESR1 (0.45) ALDH1A1

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
EP-2799461-B1 POLYCARBONATE COPOLYMER, AND COATING LIQUID AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY USING SAME IDEMITSU KOSAN CO (JP) 2017-10-11 — — EP disclosed
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