SCHEMBL3935539

SCHEMBL3935539

O=C(CC=Cc1ccccc1[N+](=O)[O-])CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.59
ALDH1A1 P00352 4/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
REV1 Q9UBZ9 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 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
SCHEMBL3938938 0.92 ALDH1A1 (0.54) MAPK1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL3935485 0.88 ALDH1A1 (0.54) MAPK1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL3932252 0.84 ALDH1A1 (0.49) MAPK1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL3934665 0.79 KMT2A (0.47) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL3939614 0.78 CYP1A2 (0.49) MAPK1ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL1399108 0.77 LMNA (0.62) MAPK1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL1399109 0.77 LMNA (0.62) MAPK1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL3945213 0.76 ALDH1A1 (0.54) MAPK1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL4366473 0.76 MAPT (0.61) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL4366477 0.76 MAPT (0.61) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046748-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-15 EP claimed
WO-2007147822-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO claimed