SCHEMBL6317944

SCHEMBL6317944

Cc1coc(/C=C/c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
RAB9A P51151 7/20 0.49
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 6/20 0.49
HPGD P15428 6/20 0.49
GRM4 Q14833 3/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
GRM5 P41594 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL6317950 1.00 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKDM4EALDH1A1NPC1
SCHEMBL9247614 0.79 KMT2A (0.50) SMN1; SMN2RAB9AKDM4EALDH1A1NPC1
SCHEMBL28844510 0.78 ERBB2 (0.58) ERBB2
SCHEMBL28844508 0.78 ERBB2 (0.58) ERBB2
SCHEMBL22398332 0.77 ERBB2 (0.50) SMN1; SMN2RAB9ANPC1GRM4TDP1
SCHEMBL14523934 0.77 ERBB2 (0.50) SMN1; SMN2RAB9ANPC1CYP2C19MAPT
SCHEMBL740909 0.75 NPC1 (0.42) SMN1; SMN2RAB9AKDM4EALDH1A1NPC1
SCHEMBL743374 0.75 ELANE (0.44) SMN1; SMN2RAB9AKDM4EALDH1A1NPC1
SCHEMBL743228 0.75 ELANE (0.44) SMN1; SMN2RAB9AKDM4EALDH1A1NPC1
SCHEMBL740908 0.75 NPC1 (0.42) SMN1; SMN2RAB9AKDM4EALDH1A1NPC1

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-6956049-B1 Methods of modulating processes mediated by excitatory amino acid receptors MERCK & CO., INC. (US) 2005-10-18 US disclosed