SCHEMBL30228316

SCHEMBL30228316

CNc1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A1 P54219 1/20 0.47
▸ SLC18A2 Q05940 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA9 Q16790 8/20 0.45
▸ CA12 O43570 7/20 0.45
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ CTDSP1 Q9GZU7 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43

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
SCHEMBL30228096 0.83 CA12 (0.48) ALDH1A1KDM4EHPGDCA9CA12
SCHEMBL30228249 0.82 NPC1 (0.42) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL30228086 0.82 CA12 (0.43) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL30227985 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBHPGDCASP1
SCHEMBL30228226 0.81 CA12 (0.69) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL30227956 0.81 CA12 (0.48) ALDH1A1KDM4EHPGDCA9CA12
SCHEMBL30228177 0.81 KDM4E (0.49) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL20839408 0.81 CA12 (0.69) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL30228256 0.80 MEN1 (0.49) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL31089799 0.79 CA12 (0.51) ALDH1A1KDM4EHPGDCA9CA12

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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