SCHEMBL30231399

SCHEMBL30231399

CCCOc1ccc2c(-c3cscc3C)cc(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA6 P23280 2/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CA14 Q9ULX7 2/20 0.52
▸ CA5B Q9Y2D0 2/20 0.52
▸ CA5A P35218 1/20 0.52
▸ KDM4E B2RXH2 6/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ HPGD P15428 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAOB P27338 4/20 0.50
▸ MAOA P21397 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 2/20 0.50

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
SCHEMBL30231545 0.84 MAPT (0.57) CA12CA1CA2CA6CA7
SCHEMBL30231677 0.84 CA12 (0.50) CA12CA1CA2CA6CA7
SCHEMBL9464272 0.82 MAOB (0.70) CA12CA1CA2CA6CA7
SCHEMBL30231631 0.81 NOD2 (0.51) CA12CA1CA2CA6CA7
SCHEMBL30231447 0.80 CA12 (0.48) CA12CA1CA2CA6CA7
SCHEMBL30231574 0.79 CA12 (0.50) CA12CA1CA2CA6CA7
SCHEMBL12722470 0.79 MAOB (0.71) CA12CA1CA2CA6CA7
SCHEMBL30231715 0.78 KDM4E (0.50) CA12CA1CA2CA6CA7
SCHEMBL30231424 0.78 KCNA3 (0.53) CA12CA1CA2CA6CA7
SCHEMBL22431698 0.77 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10RAB9A

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