SCHEMBL9486227

SCHEMBL9486227

CCCCCCCCc1cnc(-c2ccc3nc(-c4ccc(CCCCCC)cc4)sc3c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RARB P10826 6/20 0.53
RARA P10276 1/20 0.43
MTOR P42345 1/20 0.43
NPC1 O15118 5/20 0.43
APP P05067 5/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
STAT3 P40763 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
SCHEMBL8551451 0.93 RARB (0.56) RAB9AKDM4EMAPTSMN1; SMN2GAA
SCHEMBL8554845 0.87 APP (0.51) RAB9AKDM4EMAPTSMN1; SMN2GAA
SCHEMBL5946763 0.87 APP (0.51) RAB9AKDM4EMAPTSMN1; SMN2GAA
SCHEMBL8553099 0.87 APP (0.51) RAB9AKDM4EMAPTSMN1; SMN2GAA
SCHEMBL8551625 0.86 APP (0.50) RAB9AKDM4EMAPTSMN1; SMN2GAA
SCHEMBL5946646 0.83 ATP4A (0.54) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL5831652 0.83 ALDH1A1 (0.54) RAB9AKDM4EMAPTSMN1; SMN2GAA
SCHEMBL5831354 0.82 ATP4A (0.54) RAB9AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL8555881 0.82 ATP4A (0.53) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL26746670 0.82 KDM4E (0.50) RAB9AKDM4EMAPTSMN1; SMN2GAA

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-5125076-A None JP disclosed
JP-H05125076-A LIQUID-CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME, LIQUID CRYSTAL ELEMENT HAVING THE SAME, DISPLAY METHOD AND DISPLAY DEVICE USING THE SAME CANON INC 1993-05-21 JP disclosed