SCHEMBL6405320

SCHEMBL6405320

Cc1ccc(N2c3ccccc3N(c3ccc(C)cc3)c3cc4ccccc4cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 2/20 0.43
F2 P00734 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
CTRC Q99895 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MGLL Q99685 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
TLR9 Q9NR96 1/20 0.37
HSP90AA1 P07900 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL6401392 0.96 CYP2A6 (0.48) CYP2A6TDP1ELANEF2CTSG
SCHEMBL30076220 0.96 CYP2A6 (0.48) CYP2A6TDP1ELANEF2CTSG
SCHEMBL6400284 0.90 CYP2A6 (0.43) CYP2A6TDP1ELANEF2CTSG
SCHEMBL11978688 0.83 ELANE (0.50) ELANEF2CTSGCMA1CTRC
SCHEMBL13886638 0.79 HSP90AA1 (0.57) CYP2A6TDP1ALDH1A1KMT2AHSP90AA1
SCHEMBL20788946 0.79 ELANE (0.46) ELANEF2CTSGCMA1CTRC
SCHEMBL16281051 0.78 MGLL (0.42) CYP2A6ALDH1A1MGLLMEN1KMT2A
SCHEMBL21272270 0.78 MGLL (0.42) CYP2A6ALDH1A1MGLLMEN1KMT2A
SCHEMBL30076295 0.78 MGLL (0.42) CYP2A6ALDH1A1MGLLMEN1KMT2A
SCHEMBL11978695 0.78 ALDH1A1 (0.41) CYP2A6TDP1ELANEF2CTSG

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-20090091242-A1 HOLE-INJECTING LAYER IN OLEDS GLOBAL OLED TECHNOLOGY LLC 2009-04-09 US disclosed
US-20090091242-A1 HOLE-INJECTING LAYER IN OLEDS GLOBAL OLED TECHNOLOGY LLC 2009-04-09 US disclosed
US-6919140-B2 Organic electroluminescent devices with high luminance EASTMAN KODAK COMPANY (US) 2005-07-19 US disclosed
US-20050014018-A1 Organic electroluminescent devices with high luminance EASTMAN KODAK COMPANY 2005-01-20 US disclosed