SCHEMBL7961935

SCHEMBL7961935

COc1ccc(Br)c(C(=O)N2C=CC(=O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.43
CPS1 P31327 5/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
GPR6 P46095 1/20 0.36

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
SCHEMBL7952517 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1KDM4EGAAHPGD
SCHEMBL27542803 0.78 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ACYP2C19MAPK1MAPT
SCHEMBL3759104 0.72 KMT2A (0.55) SMN1; SMN2KMT2ACYP1A2CYP3A4PKM
SCHEMBL1515866 0.71 KMT2A (0.55) SMN1; SMN2KMT2ACYP1A2CYP3A4PKM
SCHEMBL7962014 0.70 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMAPTKDM4EMEN1
SCHEMBL23457081 0.70 RAB9A (0.58) SMN1; SMN2KMT2ACYP1A2CYP3A4PKM
SCHEMBL31682610 0.70 RAB9A (0.58) SMN1; SMN2KMT2ACYP1A2CYP3A4PKM
SCHEMBL1221923 0.68 KMT2A (0.54) SMN1; SMN2KMT2ACYP1A2CYP3A4PKM
SCHEMBL227238 0.68 SMN1; SMN2 (0.59) SMN1; SMN2KMT2ACYP1A2CYP3A4PKM
SCHEMBL1652968 0.68 ALDH1A1 (0.59) SMN1; SMN2KMT2ACYP1A2CYP3A4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211189-B1 NITRIC OXIDE SYNTHASE INHIBITORS; ANTIINFLAMMATORY AGENTS, ANALGESICS ASTRAZENECA UK LIMITED (GB) 2001-04-03 US disclosed
CN-1268138-A Compounds ASTRA PHARMA PROD (GB) 2000-09-27 CN disclosed
US-6083952-A Compounds ASTRA PHARMACEUTICALS LIMITED (GB) 2000-07-04 US disclosed
EP-1000064-A1 COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999001455-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-14 WO disclosed