SCHEMBL30228136

SCHEMBL30228136

C[C@H](C(=O)N(C)C)N(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA12 O43570 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ IGLV6-57 P01721 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ CASP7 P55210 2/20 0.34

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
SCHEMBL30228000 0.91 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL30227944 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL30228101 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL30228254 0.84 DPP4 (0.44) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL30227932 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL30228345 0.83 CA12 (0.39) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL30228038 0.83 CA12 (0.39) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL30228076 0.83 CA12 (0.39) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL30228256 0.83 MEN1 (0.49) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL30228221 0.81 NPC1 (0.40) ALDH1A1MEN1KMT2AHPGDTDP1

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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