SCHEMBL9623023

SCHEMBL9623023

COc1ccc(CN2CCC(SC/C=C/c3ccccc3)CC2)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
CHRM2 P08172 2/20 0.48
OPRK1 P41145 2/20 0.48
CYP1A2 P05177 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRD1 P41143 1/20 0.48
APOBEC3A P31941 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
ALDH1A1 P00352 4/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 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
SCHEMBL9623025 1.00 KDM4E (0.49) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL9367280 0.83 SMN1; SMN2 (0.48) KDM4ECYP1A2MEN1KMT2AALDH1A1
SCHEMBL9367286 0.83 SMN1; SMN2 (0.48) KDM4ECYP1A2MEN1KMT2AALDH1A1
SCHEMBL11216864 0.81 TSHR (0.61) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL11216862 0.81 TSHR (0.61) KDM4ECHRM2OPRK1CYP1A2SLC6A4
Fumaric Acid SCHEMBL9622176 0.78 ALDH1A1 (0.49) KDM4ECYP1A2MEN1KMT2AALDH1A1
Fumaric Acid SCHEMBL9622181 0.78 ALDH1A1 (0.49) KDM4ECYP1A2MEN1KMT2AALDH1A1
Fumaric Acid SCHEMBL9622178 0.78 ALDH1A1 (0.49) KDM4ECYP1A2MEN1KMT2AALDH1A1
SCHEMBL9622845 0.76 KDM4E (0.53) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL9622597 0.73 LMNA (0.44) KDM4ECHRM2OPRK1SLC6A4MEN1

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