SCHEMBL7952144

SCHEMBL7952144

Cc1ccc(Br)c(C(=O)N2C=CC(=O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.35
F2R P25116 1/20 0.33
SRD5A1 P18405 2/20 0.33
PKM P14618 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 2/20 0.32
NOTUM Q6P988 1/20 0.32
MYC P01106 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 0.84 SMN1; SMN2 (0.44) SMN1; SMN2HPGDLMNAHTTTSHR
SCHEMBL7961935 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL7960325 0.76 SMN1; SMN2 (0.44) SMN1; SMN2HPGDALDH1A1LMNAMAPT
SCHEMBL7962014 0.73 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL7961707 0.72 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL7951873 0.70 SMN1; SMN2 (0.47) SMN1; SMN2HPGDKMT2AALDH1A1LMNA
SCHEMBL7963508 0.69 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1GAANPSR1
SCHEMBL18354481 0.69 ERN1 (0.57) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL7951898 0.68 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL5544959 0.67 SMN1; SMN2 (0.65) SMN1; SMN2HPGDALDH1A1

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