SCHEMBL30228086

SCHEMBL30228086

CNCc1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ ALOX5 P09917 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL30228052 0.84 CA12 (0.48) CA12CA9ALOX5KDM4ESMN1; SMN2
SCHEMBL30227943 0.84 CA12 (0.45) CA12CA9ALOX5KDM4ESMN1; SMN2
SCHEMBL30228288 0.84 KDM4E (0.47) CA12CA9ALOX5KDM4ESMN1; SMN2
SCHEMBL30228316 0.82 SLC18A1 (0.47) CA12CA9KDM4ECYP2D6MEN1
SCHEMBL30228096 0.80 CA12 (0.48) CA12CA9KDM4ECYP2D6MEN1
SCHEMBL30228404 0.79 CA12 (0.41) CA12CA9ALOX5KDM4ESMN1; SMN2
SCHEMBL30228226 0.78 CA12 (0.69) CA12CA9KDM4EESR1KMT2A
SCHEMBL30227956 0.78 CA12 (0.48) CA12CA9ALOX5KDM4ESMN1; SMN2
SCHEMBL20839408 0.78 CA12 (0.69) CA12CA9KDM4EESR1KMT2A
SCHEMBL30228177 0.78 KDM4E (0.49) CA12CA9KDM4ESMN1; SMN2ESR1

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
WO-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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