SCHEMBL1801958

SCHEMBL1801958

NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.84
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL1801959 0.92 TRPV1 (0.70) TRPV1KDM4EMEN1NPC1ALDH1A1
SCHEMBL2933393 0.92 TRPV1 (0.70) TRPV1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1794735 0.86 TRPV1 (0.75) TRPV1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1797964 0.83 TRPV1 (0.83) TRPV1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1797962 0.83 TRPV1 (0.83) TRPV1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1800920 0.82 TRPV1 (0.65) TRPV1
SCHEMBL1800502 0.82 TRPV1 (0.68) TRPV1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1800499 0.82 TRPV1 (0.68) TRPV1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1798183 0.82 TRPV1 (0.62) TRPV1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1798187 0.82 TRPV1 (0.62) TRPV1KDM4EMEN1NPC1ALDH1A1

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
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US claimed