SCHEMBL30227899

SCHEMBL30227899

CNC(=O)CCN(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ IGLV6-57 P01721 4/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ MAPK1 P28482 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CASP7 P55210 2/20 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
SCHEMBL30228331 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL30228195 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL30227967 0.84 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL30228269 0.81 IGLV6-57 (0.46) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL25281763 0.81 GRM2 (0.35) CNR2
SCHEMBL30228256 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL30228451 0.79 CA12 (0.56) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL30228094 0.78 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL30228000 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL30228136 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDTDP1

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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