SCHEMBL9707259

SCHEMBL9707259

CC(=O)N(O)CCOc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.56
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAOB P27338 1/20 0.49
ALOX5 P09917 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HIF1A Q16665 1/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL9707283 0.91 TLR4 (0.47) PARP10MMP2MMP3ALDH1A1SMN1; SMN2
SCHEMBL9707360 0.81 ALOX5 (0.72) MMP2MMP3MAOBALOX5PTGS1
SCHEMBL10617883 0.80 MMP2 (0.61) MMP2MMP3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2089763 0.77 PARP10 (0.73) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL9707448 0.77 MMP2 (0.72) MMP2MMP3ALOX5PTGS1PTGS2
SCHEMBL9630177 0.75 PARP10 (0.61) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL10619007 0.74 KCNA3 (0.53) MMP2MMP3SMN1; SMN2KDM4EALOX5
SCHEMBL1193236 0.74 PARP10 (0.59) PARP10ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL10617859 0.73 KDM4E (0.65) MMP2MMP3ALDH1A1KDM4EMAPK1
SCHEMBL22874534 0.73 PARP10 (0.66) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB

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
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
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed