SCHEMBL30228041

SCHEMBL30228041

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ CTDSP1 Q9GZU7 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CA9 Q16790 5/20 0.38
▸ CA12 O43570 4/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GLA P06280 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ERAP1 Q9NZ08 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 0.87 NPC1 (0.42) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL30227908 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL30228221 0.85 NPC1 (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL20839318 0.83 ALDH1A1 (0.48) KDM4EALDH1A1HPGDRECQLRAB9A
SCHEMBL30763018 0.83 ALDH1A1 (0.48) KDM4EALDH1A1HPGDRECQLRAB9A
SCHEMBL30227944 0.82 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL30227987 0.81 DPP4 (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL30227961 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDPOLBRECQL
SCHEMBL30228316 0.78 SLC18A1 (0.47) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL30228181 0.78 HPGD (0.63) KDM4EALDH1A1HPGDHSD17B10POLB

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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