SCHEMBL27809485

SCHEMBL27809485

O=COCCc1noc(-c2ccc(Cl)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR4 Q5NUL3 2/20 0.35
NOTUM Q6P988 2/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
JAK2 O60674 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
ALOX5 P09917 4/20 0.33
ALOX5AP P20292 4/20 0.33
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
SMPD1 P17405 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
SCHEMBL27787521 0.89 TRPV1 (0.39) TRPV1ALDH1A1SMN1; SMN2MAPTSIRT2
SCHEMBL27809610 0.87 TRPV1 (0.41) TRPV1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL28784442 0.86 ALDH1A1 (0.40) TRPV1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL27787525 0.86 NOTUM (0.36) ALDH1A1SMN1; SMN2MAPTPOLBNOTUM
SCHEMBL27809486 0.84 FFAR4 (0.40) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL27787498 0.84 TRPV1 (0.44) TRPV1SIRT2MEN1KMT2A
SCHEMBL5447673 0.77 NOTUM (0.49) TRPV1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL27809613 0.76 MEN1 (0.39) TRPV1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL28784443 0.73 TRPV1 (0.51) TRPV1
SCHEMBL27787523 0.73 TRPV1 (0.41) TRPV1ALDH1A1SMN1; SMN2MAPTPOLB

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-101796036-A 5-Phenylisoxazole-3-carboxamide derivatives as TRPV1 modulators ORGANON NV 2010-08-04 CN disclosed