SCHEMBL30228221

SCHEMBL30228221

C[C@@H](Nc1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1)C(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ CTDSP1 Q9GZU7 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA9 Q16790 7/20 0.39
▸ CA12 O43570 6/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ CA1 P00915 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
SCHEMBL30228249 0.89 NPC1 (0.42) NPC1RAB9ACTDSP1TDP1CA9
SCHEMBL30228041 0.85 KDM4E (0.43) NPC1RAB9ACTDSP1TDP1CA9
SCHEMBL30227908 0.85 ALDH1A1 (0.44) NPC1RAB9ACTDSP1TDP1CA9
SCHEMBL30227987 0.82 DPP4 (0.45) NPC1RAB9ACTDSP1TDP1CA9
SCHEMBL30227961 0.82 KDM4E (0.44) NPC1RAB9ACTDSP1TDP1ALDH1A1
SCHEMBL30228136 0.81 ALDH1A1 (0.41) NPC1RAB9ACTDSP1TDP1CA9
SCHEMBL30228345 0.80 CA12 (0.39) NPC1RAB9ATDP1CA9CA12
SCHEMBL30228076 0.80 CA12 (0.39) NPC1RAB9ATDP1CA9CA12
SCHEMBL30228038 0.80 CA12 (0.39) NPC1RAB9ATDP1CA9CA12
SCHEMBL30228316 0.80 SLC18A1 (0.47) NPC1RAB9ACTDSP1TDP1CA9

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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