SCHEMBL21156942

SCHEMBL21156942

CCCCc1ccc(Br)cc1NC=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ EDNRB P24530 2/20 0.34
▸ EDNRA P25101 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL27818782 0.81 TYR (0.37) POLBTYRCYP2D6CTRCGAA
SCHEMBL20344640 0.81 ALOX15 (0.42) TYRCTRCSMN1; SMN2HTTMEN1
SCHEMBL20344540 0.80 TYR (0.41) POLBTYRCYP1A2CYP2D6CYP2C19
SCHEMBL21505455 0.78 SKP2 (0.39) POLBCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL14390806 0.77 CYP3A4 (0.44) POLBCYP2D6
SCHEMBL17376732 0.72 ERN1 (0.42) TYRCYP1A2CYP2D6CYP2C19CTRC
SCHEMBL31108182 0.72 TYR (0.46) TYRCTRCLMNASMN1; SMN2NPC1
SCHEMBL22887810 0.72 CTRC (0.37) POLBTYRCTRCLMNASMN1; SMN2
SCHEMBL5536492 0.71 LIPG (0.49) —
SCHEMBL1685968 0.71 LIPG (0.49) —

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
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 — — EP disclosed
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