SCHEMBL9622928

SCHEMBL9622928

COc1ccc(CSC2CCN(Cc3scc4ccccc34)CC2)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ALDH1A1 P00352 5/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
SSTR5 P35346 1/20 0.36
BCHE P06276 2/20 0.36

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
SCHEMBL9622201 0.82 MEN1 (0.42) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL9622931 0.80 HCRTR1 (0.44) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL9622197 0.78 HTR2B (0.57) BCHEACHE
SCHEMBL9622848 0.75 CHRM2 (0.45) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL9367286 0.73 SMN1; SMN2 (0.48) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL9367280 0.73 SMN1; SMN2 (0.48) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL9622857 0.71 LMNA (0.42) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL9366603 0.71 CPT1B (0.55) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL9622852 0.70 HTR2B (0.45) MEN1KMT2AKDM4ECYP1A2CHRM2
SCHEMBL9623023 0.69 KDM4E (0.49) MEN1KMT2AKDM4ECYP1A2CHRM2

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed