SCHEMBL8192034

SCHEMBL8192034

Cc1ccc(N2c3ccc(C=C(c4ccccc4)c4ccccc4)cc3Sc3cc(C=C(c4ccccc4)c4ccccc4)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
HDAC6 Q9UBN7 1/20 0.36
DUSP22 Q9NRW4 1/20 0.35
BCHE P06276 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOX1 Q9Y5S8 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
SCHEMBL2495862 0.91 CYP19A1 (0.39) PTGS2HDAC6DUSP22BCHEMEN1
SCHEMBL8174042 0.85 ALDH1A1 (0.35) PTGS2HDAC6DUSP22BCHEMEN1
SCHEMBL20008792 0.84 HDAC6 (0.50) PTGS2HDAC6BCHEKMT2ACYP1A2
SCHEMBL11988552 0.81 EGFR (0.43) ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL11988043 0.81 PTGS2 (0.36) PTGS2HDAC6DUSP22BCHEMEN1
SCHEMBL2501589 0.81 NOX1 (0.49) PTGS2MEN1KMT2ACYP19A1CYP11B2
SCHEMBL8183837 0.77 PTGS2 (0.39) PTGS2MEN1KMT2ACYP19A1CYP11B2
SCHEMBL8185276 0.76 CYP2A6 (0.46) HDAC6MEN1KMT2AALDH1A1MAPT
SCHEMBL13030816 0.76 TRPM2 (0.33) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5486677 0.76 TDP1 (0.42) PTGS2MEN1KMT2ACYP1A2CYP2C9

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-6083651-A SOLUBLE IN POLYMERIC BINDERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-04 US disclosed
US-5942615-A GOOD SOLUBILITY IN BINDER POLYMERS, SENSITIVITY, AND LOW RESIDUAL POTENTIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-08-24 US disclosed