SCHEMBL25514040

SCHEMBL25514040

CCCCCCN(c1ccccc1)c1c(C)cc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PAX8 Q06710 2/20 0.43
JAK2 O60674 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
GPX4 P36969 1/20 0.42
MEN1 O00255 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CRHR1 P34998 3/20 0.41
KCNH2 Q12809 4/20 0.41
DHFR P00374 2/20 0.39
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL16378512 0.84 RAPGEF4 (0.41) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL1204768 0.82 NPC1 (0.53) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL7924615 0.82 NPC1 (0.53) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL44732 0.82 NPC1 (0.53) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL2849795 0.82 NPC1 (0.53) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL45379 0.82 NPC1 (0.53) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL985190 0.82 NPC1 (0.53) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL60682 0.82 NPC1 (0.53) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL619876 0.82 NPC1 (0.53) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL166835 0.82 NPC1 (0.53) NPC1RAB9APAX8JAK2ALDH1A1

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
EP-4394001-A1 REACTIVE DYE AND PHOTOSENSITIVE COMPOSITION USING SAME Duksan Neolux Co., Ltd (KR) 2024-07-03 EP disclosed
WO-2023080442-A1 REACTIVE DYE AND PHOTOSENSITIVE COMPOSITION USING SAME 덕산네오룩스 주식회사 2023-05-11 WO disclosed