SCHEMBL17834015

SCHEMBL17834015

CCCCCCCCCCCCn1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL17834020 0.89 RAB9A (0.46) TRPV1MAPTALDH1A1MAPK1RAB9A
SCHEMBL17978436 0.81 KMT2A (0.50) TRPV1S1PR2S1PR1S1PR3LPAR2
SCHEMBL17825433 0.77 CYP19A1 (0.48) MAPTALDH1A1
SCHEMBL17834025 0.76 CYP19A1 (0.44) MAPTALDH1A1MAPK1RAB9ANPC1
SCHEMBL4407024 0.76 KMT2A (0.41) TRPV1ALDH1A1
SCHEMBL22533617 0.75 RAB9A (0.48) TRPV1S1PR2S1PR1S1PR3LPAR2
SCHEMBL4413426 0.74 KMT2A (0.42) TRPV1MAPTALDH1A1MAPK1RAB9A
SCHEMBL24794605 0.74 TRPV1 (0.52) TRPV1S1PR2S1PR1S1PR3LPAR2
SCHEMBL17834016 0.73 RAB9A (0.48) MAPK1RAB9ANPC1
SCHEMBL4404394 0.73 TRPV1 (0.56) TRPV1RAB9A

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-2016091228-A1 SUBSTITUTED PHENYLTETRAZOLE, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-16 WO disclosed