SCHEMBL2435262

SCHEMBL2435262

O=C(Nc1cccc(C(F)(F)F)c1)N1COc2cc(O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 5/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.44
P2RX1 P51575 1/20 0.44
CCR2 P41597 1/20 0.43
GRIN2B Q13224 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR142 Q7Z601 1/20 0.43

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
SCHEMBL2435834 0.83 PPIA (0.48) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL2437298 0.81 AR (0.41) TRPV1MAPTTP53
SCHEMBL273501 0.81 TRPV1 (0.52) TRPV1SMN1; SMN2MAPTHTTMEN1
SCHEMBL2481583 0.79 HTR2A (0.64) TRPV1SMN1; SMN2MAPTRAB9AHTT
SCHEMBL2434322 0.78 KDR (0.51)
SCHEMBL2437406 0.78 KDR (0.63)
SCHEMBL2433250 0.77 KDR (0.60) TRPV1
SCHEMBL2434342 0.77 KDR (0.60) TRPV1MAPTLMNA
SCHEMBL2433093 0.76 KDR (0.64)
SCHEMBL14458188 0.70 NPC1 (0.67) SMN1; SMN2MAPTRAB9AMEN1KMT2A

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-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed