SCHEMBL30228402

SCHEMBL30228402

Cc1ccccc1-c1cc(=O)oc2cc(N(C)Cc3ccn[nH]3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 6/20 0.46
▸ KCNA3 P22001 3/20 0.44
▸ HSD17B3 P37058 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CA12 O43570 2/20 0.36

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
SCHEMBL31710568 0.83 IGLV6-57 (0.52) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD
SCHEMBL30228360 0.82 IGLV6-57 (0.47) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD
SCHEMBL30228207 0.82 IGLV6-57 (0.47) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD
SCHEMBL30228594 0.82 IGLV6-57 (0.45) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD
SCHEMBL30227962 0.81 IGLV6-57 (0.46) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD
SCHEMBL30228373 0.81 KCNA3 (0.46) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD
SCHEMBL30228494 0.80 IGLV6-57 (0.46) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD
SCHEMBL30228039 0.80 IGLV6-57 (0.46) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD
SCHEMBL30228077 0.79 KCNA3 (0.56) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD
SCHEMBL30227938 0.78 IGLV6-57 (0.51) IGLV6-57KCNA3HSD17B3ALDH1A1HPGD

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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