SCHEMBL3265246

SCHEMBL3265246

C=CCN(c1ccccc1)c1ccc(-c2ccc(N(CC=C)c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CCR6 P51684 1/20 0.41
ESR1 P03372 1/20 0.40
S1PR1 P21453 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
Benzene SCHEMBL27985319 0.91 ESR1 (0.44) ALDH1A1LMNAESR1S1PR1CYP1A2
SCHEMBL39946 0.91 ESR1 (0.44) ALDH1A1LMNAESR1S1PR1CYP1A2
SCHEMBL9818045 0.91 ESR1 (0.44) ALDH1A1LMNAESR1S1PR1CYP1A2
Methane SCHEMBL27634949 0.89 ESR1 (0.43) ALDH1A1LMNAESR1S1PR1CYP1A2
Ammonia Solution, Strong SCHEMBL28398668 0.89 ESR1 (0.43) ALDH1A1LMNAHPGDALOX12CCR6
Water SCHEMBL10786878 0.89 ESR1 (0.43) ALDH1A1LMNAESR1S1PR1CYP1A2
SCHEMBL3435243 0.85 CHKA (0.41) ESR1S1PR1CYP1A2TSHRKDM4E
SCHEMBL9285160 0.83 CYP3A4 (0.54) ALDH1A1ALOX12ESR1S1PR1CYP1A2
SCHEMBL9811796 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHPGDALOX12CCR6
Phenol SCHEMBL27524729 0.81 ESR1 (0.54) ALDH1A1ESR1S1PR1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642029-B2 Imaging member XEROX CORPORATION (US) 2010-01-05 US disclosed
US-7527903-B2 Imaging member XEROX CORPORATION (US) 2009-05-05 US disclosed
US-20070172749-A1 Imaging member XEROX CORPORATION 2007-07-26 US disclosed
US-20070099101-A1 Imaging member XEROX CORPORATION 2007-05-03 US disclosed