SCHEMBL10890144

SCHEMBL10890144

CC(=O)Nc1ccc2c(=O)cc(-c3ccc(C(=O)O)cc3)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 4/20 0.61
▸ CSNK2A2 P19784 1/20 0.53
▸ CSNK2B P67870 1/20 0.53
▸ CSNK2A1 P68400 1/20 0.53
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ CYP3A4 P08684 4/20 0.49
▸ MAOB P27338 3/20 0.49

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
SCHEMBL17786578 0.90 CSNK2A2 (0.64) TNKSCSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL10889628 0.88 TNKS (0.67) TNKSCSNK2A2CSNK2BCSNK2A1CA12
SCHEMBL17786530 0.79 CSNK2A2 (0.65) TNKSCSNK2A2CSNK2BCSNK2A1CA12
Hydrochloric Acid SCHEMBL10890306 0.78 TNKS (0.49) TNKSMEN1KMT2AKDM4EALDH1A1
SCHEMBL2032421 0.76 TNKS (1.00) TNKSCA12CA1CA9KDM4E
SCHEMBL6497044 0.76 TNKS (0.74) TNKSCA12CA1CA9MEN1
SCHEMBL10890436 0.76 CA12 (0.46) CA12CA1CA9MEN1KMT2A
SCHEMBL10887544 0.75 ALDH1A1 (0.51) CA12CA1CA9MEN1KMT2A
SCHEMBL25201659 0.75 KDM4E (0.73) TNKSCSNK2A2CSNK2BCSNK2A1CA12
SCHEMBL926774 0.75 CSNK2A2 (0.72) TNKSCSNK2A2CSNK2BCSNK2A1MEN1

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
US-4600788-A ANTIDIABETIC AGENTS, DIURETICS/ ALYST, ENAMINE SOCIETE CORTIAL, S.A. (FR) 1986-07-15 — — US disclosed
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