SCHEMBL3128356

SCHEMBL3128356

Brc1ccc2cc1-2.N=C=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN1 P18031 1/20 0.31
HSP90AA1 P07900 1/20 0.30
TLR9 Q9NR96 1/20 0.30
S100A4 P26447 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
SCHEMBL4011227 0.71 RXRA (0.37)
SCHEMBL3906602 0.70 ALDH1A1 (0.50) ALDH1A1MAPK1PTPRC
SCHEMBL2732723 0.69
SCHEMBL20955794 0.67 ALDH1A1 (0.58) ALDH1A1MAPK1PTPN1HSP90AA1
SCHEMBL3748766 0.67 ALDH1A1 (0.58) ALDH1A1MAPK1PTPN1HSP90AA1
SCHEMBL28685012 0.67 ESR2 (0.44) ALDH1A1
Methane SCHEMBL27616972 0.67 ALDH1A1 (0.33) ALDH1A1
Methane SCHEMBL509019 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28542905 0.65 S100A4 (0.48) ALDH1A1MAPK1PTPRCHSP90AA1TLR9
Ethane SCHEMBL6257492 0.64 SMN1; SMN2 (0.32) ALDH1A1

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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed