SCHEMBL9477408

SCHEMBL9477408

Cc1cc(=O)n(-c2cc3c(cc2F)OC(CC#N)C(=O)N3)c(=O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 6/20 0.33
BCAT1 P54687 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9480245 0.72 MMP12 (0.43) MEN1KMT2A
SCHEMBL12168470 0.65 SMN1; SMN2 (0.32) BCAT1SMN1; SMN2
SCHEMBL8689420 0.62 BCAT1 (0.42) BCAT2BCAT1SMN1; SMN2
SCHEMBL10574822 0.61 SMN1; SMN2 (0.61) BCAT2BCAT1SMN1; SMN2GAAMEN1
SCHEMBL9423268 0.59 SMN1; SMN2 (0.45) BCAT2BCAT1SMN1; SMN2MEN1ALDH1A1
SCHEMBL9706539 0.59 SMN1; SMN2 (0.45) BCAT2BCAT1SMN1; SMN2
SCHEMBL9480899 0.58 SMN1; SMN2 (0.34) BCAT2BCAT1SMN1; SMN2
SCHEMBL10574007 0.58 SMN1; SMN2 (0.44) BCAT2BCAT1SMN1; SMN2
SCHEMBL9423269 0.58 SMN1; SMN2 (0.47) BCAT2BCAT1SMN1; SMN2GAAMEN1
SCHEMBL9501707 0.58 SMN1; SMN2 (0.40) BCAT2BCAT1SMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5232898-A Herbicides CIBA-GEIGY CORPORATION (US) 1993-08-03 US disclosed
EP-0434778-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-03 EP disclosed
WO-1990015057-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1990-12-13 WO disclosed