SCHEMBL9682730

SCHEMBL9682730

Clc1ccc(/C=C/c2cncc(/C=C/c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 3/20 0.51
GRM4 Q14833 1/20 0.50
AHR P35869 1/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
DHFR P00374 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9682732 1.00 RAB9A (0.51) RAB9ANPC1KDM4EGRM4AHR
SCHEMBL9250243 0.81 AHR (0.61) RAB9ANPC1KDM4EAHRMAPT
SCHEMBL9250248 0.81 AHR (0.61) RAB9ANPC1KDM4EAHRMAPT
SCHEMBL14178976 0.78 GRM4 (0.75) RAB9ANPC1KDM4EGRM4MAPT
SCHEMBL260347 0.76 AHR (0.74) RAB9ANPC1KDM4EAHRMAPT
SCHEMBL9679429 0.76 AHR (0.74) RAB9ANPC1KDM4EAHRMAPT
SCHEMBL1795502 0.76 AHR (0.74) RAB9ANPC1KDM4EAHRMAPT
SCHEMBL9679426 0.76 AHR (0.74) RAB9ANPC1KDM4EAHRMAPT
SCHEMBL20582895 0.76 AHR (0.74) RAB9ANPC1KDM4EAHRMAPT
SCHEMBL699666 0.76 AHR (0.74) RAB9ANPC1KDM4EAHRMAPT

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
JP-4198169-A None JP disclosed
JP-H04198169-A NON-LINEAR OPTICAL MATERIAL COMPOUND TOSHIBA CORP 1992-07-17 JP disclosed