SCHEMBL18764630

SCHEMBL18764630

Nc1cccc(Cc2[nH]c(=O)ccc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PARP1 P09874 2/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ MMP1 P03956 1/20 0.33

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
SCHEMBL18764639 0.80 SMN1; SMN2 (0.41) CA9CA12HTTSMN1; SMN2
SCHEMBL30583096 0.70 MAOB (0.62) CA9CA1CA2PARP1MAOA
SCHEMBL49433 0.70 MAOB (0.62) CA9CA1CA2PARP1MAOA
SCHEMBL28158901 0.68 MAOB (0.52) CA9CA1CA2MAOAMAOB
SCHEMBL9719335 0.68 MAOB (0.60) CA9CA1CA2PARP1MAOA
Hydrochloric Acid SCHEMBL10936113 0.68 MAOB (0.64) CA9CA1CA2PARP1MAOA
Hydrochloric Acid SCHEMBL8644377 0.68 MAOB (0.64) CA9CA1CA2PARP1MAOA
SCHEMBL9719373 0.66 CA1 (0.62) CA9CA1CA2PARP1MAOA
SCHEMBL29569802 0.66 CA1 (0.62) CA9CA1CA2PARP1MAOA
SCHEMBL3482569 0.66 CA1 (0.62) CA9CA1CA2PARP1MAOA

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
EP-3365337-A1 PYRIDONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS Selvita S.A. (PL) 2018-08-29 — — EP disclosed
WO-2017068064-A1 PYRIDONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS SELVITA S.A. (PL) 2017-04-27 — — WO disclosed
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