SCHEMBL30231671

SCHEMBL30231671

COCC(Oc1ccc2c(-c3ccccc3Cl)cc(=O)oc2c1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ ALDH1A1 P00352 8/20 0.47
▸ HPGD P15428 7/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ RECQL P46063 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ USP2 O75604 1/20 0.44
▸ KCNA3 P22001 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ AR P10275 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
SCHEMBL30231473 0.91 CA9 (0.54) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30231648 0.90 ALDH1A1 (0.53) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30231510 0.88 CA12 (0.51) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30231628 0.88 CA12 (0.51) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30231442 0.87 HPGD (0.43) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL22431754 0.82 CA9 (0.56) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30231415 0.80 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ETDP1RECQL
SCHEMBL30231414 0.80 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ETDP1RECQL
SCHEMBL30231271 0.80 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ETDP1RECQL
SCHEMBL30231699 0.80 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ETDP1RECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023034339-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
WO-2023034340-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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