SCHEMBL2349040

SCHEMBL2349040

N#CC=C(C(=O)c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.44
CES1 P23141 6/20 0.44
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL20959565 0.90 CES2 (0.50) CES2CES1ALDH1A1RAB9ALMNA
SCHEMBL7896358 0.80 RAB9A (0.63) CYP1B1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8461847 0.78 RECQL (0.45) CES2CES1ALDH1A1CYP3A4CYP2C19
SCHEMBL437087 0.77 AKR1C1 (0.53) CES2CES1ALDH1A1CYP3A4CYP2C19
SCHEMBL437088 0.77 AKR1C1 (0.53) CES2CES1ALDH1A1CYP3A4CYP2C19
SCHEMBL7887870 0.76 CES2 (0.75) CES2CES1CYP1B1ALDH1A1RAB9A
SCHEMBL7994145 0.76 CES2 (0.54) CES2CES1ALDH1A1RAB9ANPC1
SCHEMBL6319759 0.73 CES2 (0.52) CES2CES1ALDH1A1RAB9AMAPK1
SCHEMBL11687187 0.72 CES2 (0.53) CES2RAB9ACYP3A4KMT2APKM
SCHEMBL11687191 0.72 CES2 (0.53) CES2RAB9ACYP3A4KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358765-A1 IMIDIZED POLYMERS CONTAINING LUMINESCENT GROUPS AND METHOD FOR OBTAINING THEM ENI S.p.A. (IT) 2011-08-24 EP claimed
WO-2010078933-A1 IMIDIZED POLYMERS CONTAINING LUMINESCENT GROUPS AND METHOD FOR OBTAINING THEM ENI S.P.A. (IT) 2010-07-15 WO claimed
EP-2358765-B1 IMIDIZED POLYMERS CONTAINING LUMINESCENT GROUPS AND METHOD FOR OBTAINING THEM ENI SPA (IT) 2016-02-24 EP disclosed
US-9187584-B2 Imidized polymers containing luminescent groups and method for obtaining them ENI S.P.A. (IT) 2015-11-17 US disclosed
US-20110301301-A1 IMIDIZED POLYMERS CONTAINING LUMINESCENT GROUPS AND METHOD FOR OBTAINING THEM ENI S.P.A. (IT) 2011-12-08 US disclosed