SCHEMBL27995492

SCHEMBL27995492

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.O=[N+]([O-])c1ccc([Cu](c2ccc([N+](=O)[O-])cc2)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ MMP2 P08253 4/20 0.40
▸ MMP9 P14780 4/20 0.40
▸ MMP8 P22894 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ MMP13 P45452 3/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ SENP8 Q96LD8 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP6 Q9GZR1 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPBWR1 P48145 6/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ GUSB P08236 2/20 0.35
▸ PKN1 Q16512 1/20 0.35

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
SCHEMBL28002967 0.91 MAPT (0.46) MAPTNPC1RAB9AMMP2MMP9
SCHEMBL27762734 0.84 MAPT (0.41) MAPTNPC1RAB9AMMP2MMP9
SCHEMBL28461432 0.84 MAPT (0.41) MAPTNPC1RAB9AMMP2MMP9
SCHEMBL28448581 0.84 MAPT (0.41) MAPTNPC1RAB9AMMP2MMP9
SCHEMBL28451304 0.84 MAPT (0.41) MAPTNPC1RAB9AMMP2MMP9
P-Nitrophenol SCHEMBL29094955 0.84 NPBWR1 (0.50) MAPTNPC1RAB9AMMP2MMP9
SCHEMBL27945170 0.82 MAPT (0.40) MAPTNPC1RAB9AMMP2MMP9
Nitrobenzene SCHEMBL27922730 0.82 LMNA (0.50) MAPTNPC1RAB9AMMP2MMP9
SCHEMBL9091739 0.78 MAPT (0.46) MAPTNPC1RAB9AMMP2MMP9
Nitric Acid SCHEMBL10609842 0.77 STAT3 (0.34) MAPTNPC1RAB9AMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104311483-A Method for preparing quinoline-2-carboxylic acid UNIV BEIJING TECHNOLOGY 2015-01-28 — — CN disclosed
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