SCHEMBL20748447

SCHEMBL20748447

CCNc1ccc(C)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ PLEC Q15149 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.35

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
SCHEMBL8285135 0.83 TSHR (0.41) CYP3A4TSHRRECQLCYP1A2CYP2C9
SCHEMBL8348988 0.78 RAPGEF4 (0.52) CYP3A4TSHRRECQLSMN1; SMN2MEN1
SCHEMBL19122138 0.76 APP (0.39) CYP3A4CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8293199 0.75 LMNA (0.47) CYP3A4TSHRRECQLCYP1A2CYP2C9
SCHEMBL20707057 0.75 CYP1A2 (0.42) CYP3A4TSHRRECQLCYP1A2CYP2C9
SCHEMBL5981996 0.75 KDM4E (0.51) CYP3A4TSHRRECQLSMN1; SMN2MEN1
SCHEMBL2722710 0.75 ALDH1A1 (0.56) CYP3A4TSHRRECQLCYP1A2CYP2C9
SCHEMBL12327201 0.75 KDM4E (0.43) CYP3A4TSHRRECQLCYP1A2CYP2C9
SCHEMBL18743103 0.75 CYP3A4 (0.41) CYP3A4TSHRRECQLCYP1A2CYP2C9
SCHEMBL11211267 0.75 CYP3A4 (0.50) CYP3A4TSHRRECQLCYP1A2CYP2C9

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-3444242-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2019-02-20 — — EP disclosed
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