SCHEMBL14948323

SCHEMBL14948323

CC[N+](CC)(CC)Cc1ccc(N(c2cccc(C)c2)c2cccc(C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 4/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.35
PAX8 Q06710 2/20 0.35
JAK2 O60674 1/20 0.35
ACHE P22303 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.33
GPX4 P36969 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
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
SCHEMBL14948315 0.83 ALDH1A1 (0.38) POLBLMNAHTTALDH1A1CNR1
SCHEMBL14948388 0.83 ALDH1A1 (0.43) ALDH1A1CNR2MEN1KMT2ATSHR
SCHEMBL2422163 0.81 ALDH1A1 (0.43) POLBLMNARAB9AHTTALDH1A1
SCHEMBL13136833 0.81 POLB (0.47) POLBLMNARAB9AHTTALDH1A1
SCHEMBL4518120 0.80 ACHE (0.52) POLBLMNARAB9AHTTALDH1A1
SCHEMBL728283 0.80 ACHE (0.52) POLBLMNARAB9AHTTALDH1A1
SCHEMBL14948404 0.79 CCR5 (0.39) ACHECNR2MEN1KMT2ATAAR1
SCHEMBL14948433 0.78 POLB (0.40) POLBLMNARAB9AHTTALDH1A1
SCHEMBL14948326 0.77 CYP2A6 (0.41) TDP1
SCHEMBL14948340 0.77 TAAR1 (0.30) TAAR1

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
US-9184388-B2 Layered structure, electronic device using same, aromatic compound, and method for manufacturing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-10 US disclosed
US-20130119369-A1 LAYERED STRUCTURE, ELECTRONIC DEVICE USING SAME, AROMATIC COMPOUND, AND METHOD FOR MANUFACTURING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-16 US disclosed