SCHEMBL6587108

SCHEMBL6587108

[NH]C(=O)c1ccc(Nc2cccc(-c3n[nH]cc3CBr)c2)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
CTSV O60911 3/20 0.33
CTSL P07711 3/20 0.33
FBP1 P09467 1/20 0.33
MAP2K7 O14733 1/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
UBE2N P61088 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6588569 0.84 JAK3 (0.34)
SCHEMBL6586018 0.84 NTRK1 (0.34) TRPV1
SCHEMBL6592078 0.84 MAPK14 (0.36)
SCHEMBL6587712 0.82 TTK (0.37) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL6584858 0.81 KCNK3 (0.35)
SCHEMBL2953422 0.76 L3MBTL1 (0.49) KMT2AMAPTMEN1L3MBTL1POLB
SCHEMBL6591729 0.73 DHODH (0.33)
SCHEMBL6587164 0.73 MAPK8 (0.39)
SCHEMBL6587745 0.72 KMT2A (0.56) MAP2K7KMT2AMAPTMEN1L3MBTL1
SCHEMBL6199293 0.71 HTR2A (0.52) KMT2AMAPTMEN1POLBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed