SCHEMBL3934665

SCHEMBL3934665

O=C(CC=Cc1ccccc1[N+](=O)[O-])CN1CCN(CCCCl)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3937178 0.85 NFE2L2 (0.46) KMT2AALDH1A1CYP2C19CYP3A4MAPT
SCHEMBL3938938 0.83 ALDH1A1 (0.54) KMT2AALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3937145 0.82 L3MBTL1 (0.41) KMT2AALDH1A1LMNACYP2D6CYP2C9
SCHEMBL3935485 0.81 ALDH1A1 (0.54) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3939614 0.80 CYP1A2 (0.49) KMT2AALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL1399046 0.80 KMT2A (0.62) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1399044 0.80 KMT2A (0.62) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3932252 0.80 ALDH1A1 (0.49) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3935539 0.79 MAPK1 (0.59) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3945213 0.78 ALDH1A1 (0.54) KMT2AALDH1A1LMNASMN1; SMN2CYP1A2

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