SCHEMBL4697147

SCHEMBL4697147

O=C(Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HGFAC Q04756 1/20 0.67
ALOX5 P09917 3/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX12 P18054 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GPR55 Q9Y2T6 1/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL11751170 0.87 ALOX5 (0.57) HGFACALOX5LMNAKDM4EALOX12
SCHEMBL1016235 0.85 HGFAC (0.58) HGFACALOX5LMNAKDM4EALOX12
SCHEMBL28193618 0.83 HSD17B10 (0.59) HGFACLMNAHSD17B10ALDH1A1KMT2A
SCHEMBL27730499 0.83 MDM2 (0.54) HGFACALOX5LMNAKDM4EALOX12
Ammonia Solution, Strong SCHEMBL27995845 0.82 CES2 (0.58) HGFACALOX5LMNAKDM4EL3MBTL1
SCHEMBL28193616 0.82 HSD17B10 (0.61) HGFACLMNAHSD17B10ALDH1A1KMT2A
SCHEMBL7186306 0.80 HSD17B10 (0.59) HGFACLMNAHSD17B10ALDH1A1KMT2A
SCHEMBL29617475 0.80 MAPT (0.63) HGFACLMNATDP1ALDH1A1KMT2A
SCHEMBL3793561 0.80 MAPT (0.63) HGFACLMNATDP1ALDH1A1KMT2A
SCHEMBL27373763 0.80 SLC6A3 (0.61) ALOX5LMNAHSD17B10ALDH1A1KMT2A

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-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 WO disclosed