SCHEMBL8986944

SCHEMBL8986944

O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
HPGD P15428 1/20 0.66
MAPK1 P28482 1/20 0.66
HTT P42858 1/20 0.66
POLB P06746 1/20 0.62
CTSV O60911 1/20 0.56
CTSL P07711 1/20 0.56
PARP1 P09874 2/20 0.52
IDO1 P14902 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ELANE P08246 1/20 0.49
TNKS2 Q9H2K2 3/20 0.48
TNKS O95271 2/20 0.48
PARP2 Q9UGN5 2/20 0.48
GUSB P08236 1/20 0.48
NLRP3 Q96P20 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL28132752 0.84 MEN1 (0.60) SMN1; SMN2HPGDMAPK1HTTPOLB
SCHEMBL1173520 0.80 HPGD (1.00) SMN1; SMN2HPGDMAPK1HTTCTSV
SCHEMBL28133652 0.80 HPGD (1.00) SMN1; SMN2HPGDMAPK1HTTCTSV
SCHEMBL29612166 0.80 HPGD (1.00) SMN1; SMN2HPGDMAPK1HTTCTSV
Carbazole SCHEMBL27552113 0.78 CTSV (0.67) SMN1; SMN2HPGDHTTPOLBCTSV
SCHEMBL14406226 0.78 ELANE (0.61) SMN1; SMN2MAPK1POLBALDH1A1ELANE
SCHEMBL28060912 0.78 IDO1 (0.64) SMN1; SMN2POLBCTSVCTSLPARP1
SCHEMBL9263322 0.78 CTSV (0.51) SMN1; SMN2POLBCTSVCTSLPARP1
SCHEMBL31456152 0.78 IDO1 (0.64) SMN1; SMN2POLBCTSVCTSLPARP1
SCHEMBL8986955 0.78 HPGD (0.74) SMN1; SMN2HPGDMAPK1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed