SCHEMBL19941967

SCHEMBL19941967

Nc1cc([N+](=O)[O-])ccc1NCCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.55
▸ POLB P06746 1/20 0.54
▸ PKM P14618 3/20 0.53
▸ CNR1 P21554 1/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ LMNA P02545 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ GFER P55789 2/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46

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
SCHEMBL19924971 0.84 CDK2 (0.47) MAPTPOLBPKMMEN1KMT2A
SCHEMBL27325893 0.84 MAPT (0.61) MAPTPOLBPKMMEN1KMT2A
SCHEMBL4198828 0.81 MAPT (0.80) MAPTPOLBPKMMEN1KMT2A
SCHEMBL2468178 0.79 MAPT (0.55) MAPTPOLBPKMMEN1KMT2A
SCHEMBL17241872 0.78 NPC1 (0.58) MAPTCNR1MEN1KMT2ALMNA
SCHEMBL108393 0.77 KMT2A (0.65) MAPTPKMMEN1KMT2ALMNA
SCHEMBL14063302 0.77 MAPT (0.54) MAPTPOLBPKMMEN1KMT2A
SCHEMBL29390080 0.77 KMT2A (0.65) MAPTPKMMEN1KMT2ALMNA
SCHEMBL19941889 0.77 POLB (0.52) MAPTPOLBPKMMEN1KMT2A
SCHEMBL27291436 0.76 MAPT (0.61) MAPTPOLBPKMMEN1KMT2A

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
WO-2018042342-A1 1,2,3-BENZOTRIAZOLE DERIVATIVES AS ROR GAMMA T MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-03-08 — — WO disclosed
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