SCHEMBL19089865

SCHEMBL19089865

CCCCCCCCCCN(CCCCCCCCCC)c1ccc(N(c2ccc(N(CCCCCCCCCC)CCCCCCCCCC)cc2)c2ccc(N(c3ccccc3)c3ccccc3)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PAX8 Q06710 2/20 0.41
JAK2 O60674 1/20 0.41
CNR2 P34972 5/20 0.38
INSR P06213 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 1/20 0.35
TACR1 P25103 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TP53 P04637 1/20 0.34
GPX4 P36969 1/20 0.34
ALDH3A1 P30838 1/20 0.34
ALDH1A3 P47895 1/20 0.34
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL17660031 0.89 CNR2 (0.39) NPC1RAB9APAX8JAK2CNR2
SCHEMBL12304302 0.86 ALDH3A1 (0.45) NPC1RAB9APAX8JAK2CNR2
SCHEMBL2954673 0.84 NR1H2 (0.43) CNR2ALDH1A1KDM4EPOLBGAA
SCHEMBL21391890 0.84 NPC1 (0.49) NPC1RAB9APAX8JAK2CNR2
SCHEMBL12304364 0.80 ALDH3A1 (0.40) NPC1RAB9APAX8CNR2ALDH1A1
SCHEMBL25227148 0.79 NPC1 (0.53) NPC1RAB9APAX8JAK2CNR2
SCHEMBL25224460 0.79 NPC1 (0.53) NPC1RAB9APAX8JAK2CNR2
SCHEMBL25223686 0.79 NPC1 (0.53) NPC1RAB9APAX8JAK2CNR2
SCHEMBL25277336 0.79 NPC1 (0.53) NPC1RAB9APAX8JAK2CNR2
SCHEMBL25270420 0.79 NPC1 (0.53) NPC1RAB9APAX8JAK2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170194547-A1 THERMOELECTRIC CONVERSION MATERIAL, THERMOELECTRIC CONVERSION ELEMENT, ARTICLE FOR THERMOELECTRIC POWER GENERATION AND POWER SUPPLY FOR SENSOR FUJIFILM CORPORATION (JP) 2017-07-06 US disclosed