SCHEMBL669871

SCHEMBL669871

c1cc(-c2ccc3ccccc3n2)c(-c2ccc3ccccc3n2)c(-c2ccc3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.55
NPC1 O15118 11/20 0.55
AR P10275 7/20 0.55
CYP3A4 P08684 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
SMN1; SMN2 Q16637 8/20 0.52
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 6/20 0.52
MAPT P10636 5/20 0.52
HSD17B10 Q99714 4/20 0.52
TP53 P04637 4/20 0.52
PKM P14618 3/20 0.52
HPGD P15428 3/20 0.52
GMNN O75496 1/20 0.52
THPO P40225 1/20 0.52

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
Bromide SCHEMBL20502171 0.89 RAB9A (0.50) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL12853993 0.85 PTGS2 (0.57) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL12205159 0.84 RAB9A (0.59) RAB9ANPC1ARCYP3A4CYP1A2
Bromide SCHEMBL20502170 0.83 PTGS2 (0.56) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL14249689 0.82 RAB9A (0.57) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL2078302 0.82 NPC1 (0.51) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL240495 0.82 AR (0.55) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL29986507 0.80 AR (0.54) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL24662769 0.80 MEN1 (0.49) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL170196 0.79 RAB9A (0.64) RAB9ANPC1ARCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9172049-B2 Solution-processable electron-transport materials and related organic optoelectronic devices UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-10-27 US disclosed
US-20130285021-A1 SOLUTION-PROCESSABLE ELECTRON-TRANSPORT MATERIALS AND RELATED ORGANIC OPTOELECTRONIC DEVICES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-10-31 US disclosed
WO-2012024132-A2 SOLUTION-PROCESSABLE ELECTRON-TRANSPORT MATERIALS AND RELATED ORGANIC OPTOELECTRONIC DEVICES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 WO disclosed