SCHEMBL30228378

SCHEMBL30228378

CC(C(N)=O)N(C)c1ccc2c(-c3ccccc3)cc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ HPGD P15428 7/20 0.56
▸ CA9 Q16790 2/20 0.53
▸ AKR1B1 P15121 2/20 0.53
▸ CA12 O43570 1/20 0.53
▸ ALDH2 P05091 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ HSD17B3 P37058 1/20 0.53
▸ SORD Q00796 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.49
▸ HTT P42858 2/20 0.49
▸ RECQL P46063 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46

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
SCHEMBL30228433 0.87 KCNA3 (0.46) ALDH1A1HPGDCA9AKR1B1CA12
SCHEMBL30228403 0.87 KCNA3 (0.46) ALDH1A1HPGDCA9AKR1B1CA12
SCHEMBL14111529 0.80 CA9 (0.62) ALDH1A1HPGDCA9AKR1B1CA12
SCHEMBL30228459 0.80 CA9 (0.53) ALDH1A1HPGDCA9AKR1B1CA12
SCHEMBL30228175 0.79 KCNA3 (0.47) ALDH1A1HPGDCA9AKR1B1CA12
SCHEMBL30228263 0.79 KCNA3 (0.47) ALDH1A1HPGDCA9AKR1B1CA12
SCHEMBL31245426 0.77 ALDH1A1 (0.82) ALDH1A1HPGDCA9MAOBKDM4E
SCHEMBL21629597 0.77 ALDH1A1 (0.82) ALDH1A1HPGDCA9MAOBKDM4E
SCHEMBL30228036 0.74 KCNA3 (0.41) ALDH1A1HPGDCA9CA12KDM4E
SCHEMBL14437121 0.74 ALDH1A1 (0.64) ALDH1A1HPGDCA9AKR1B1CA12

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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