SCHEMBL8539529

SCHEMBL8539529

O=[N+]([O-])c1ccc(-c2ncc[nH]2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSP90AA1 P07900 1/20 0.47
AGTR1 P30556 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 2/20 0.44
NAMPT P43490 1/20 0.44
XDH P47989 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL5249670 0.84 MAPT (0.56) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL8540776 0.83 AMY1A (0.48) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL31463535 0.83 AMY1A (0.48) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL5747525 0.83 MEN1 (0.46) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL4055359 0.82 HSD17B10 (0.49) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL9292469 0.82 NPC1 (0.44) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL8539360 0.81 ERN1 (0.49) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL8536108 0.80 HTT (0.51) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL8536128 0.80 NPC1 (0.43) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL8536125 0.80 NPC1 (0.43) MEN1KMT2ANPC1RAB9AHSP90AA1

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
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed