SCHEMBL9707283

SCHEMBL9707283

CC(=O)N(O)CCOc1cccc(OCc2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
PARP10 Q53GL7 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SYK P43405 2/20 0.44
GPR132 Q9UNW8 1/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
CYSLTR2 Q9NS75 2/20 0.44
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.43
PLAT P00750 1/20 0.42
PTPN1 P18031 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9707259 0.91 PARP10 (0.56) PARP10KDM4ESYKMMP2MMP3
SCHEMBL10617883 0.77 MMP2 (0.61) KDM4EMMP2MMP3RAB9AALDH1A1
SCHEMBL791890 0.74 FFAR1 (0.61) TLR4TLR2SYKNPC1RAB9A
SCHEMBL9719790 0.73 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2
SCHEMBL10617859 0.73 KDM4E (0.65) KDM4ETDP1MMP2MMP3RAB9A
SCHEMBL22964159 0.72 TLR4 (0.53) TLR4TLR2PARP10KDM4ESYK
SCHEMBL9707360 0.72 ALOX5 (0.72) MMP2MMP3
SCHEMBL13645800 0.71 KDM4E (0.55) TLR4TLR2KDM4ETDP1SYK
SCHEMBL10619007 0.71 KCNA3 (0.53) KDM4EMMP2MMP3SMN1; SMN2
SCHEMBL6089761 0.71 GPR132 (0.49) TLR4TLR2PARP10KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196184-B1 ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-16 EP disclosed
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed