SCHEMBL21391890

SCHEMBL21391890

CCCCCCN(CCCCCC)c1ccc(N(c2ccccc2)c2ccc(N(CCCCCC)CCCCCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
JAK2 O60674 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
CNR2 P34972 3/20 0.47
KCNH2 Q12809 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
ICMT O60725 1/20 0.43
ALB P02768 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL25226812 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2
SCHEMBL25229294 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2
SCHEMBL25270420 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2
SCHEMBL25224460 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2
SCHEMBL25277336 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2
SCHEMBL25224593 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2
SCHEMBL25223686 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2
SCHEMBL25227148 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2
SCHEMBL25224466 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2
SCHEMBL25276956 0.94 NPC1 (0.53) NPC1JAK2RAB9APAX8CNR2

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-11094474-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye composition, and oxide semiconductor electrode FUJIFILM CORPORATION (JP) 2021-08-17 US disclosed
US-20190295779-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed