SCHEMBL2222984

SCHEMBL2222984

COc1cccc(Oc2ccc3c(c2)SCCC3C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MTNR1B P49286 4/20 0.42
MTNR1A P48039 3/20 0.42
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIA2 P42262 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.36
KCNH2 Q12809 1/20 0.36
RYR2 Q92736 1/20 0.36
PGR P06401 1/20 0.36
GID4 Q8IVV7 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 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
SCHEMBL2353940 0.74 GRIA2 (0.48) SMN1; SMN2MTNR1BMTNR1AKDM4EGRIA2
SCHEMBL10709191 0.70 SMN1; SMN2 (0.80) SMN1; SMN2MTNR1BMTNR1AKDM4EMEN1
SCHEMBL29929943 0.70 SMN1; SMN2 (0.72) SMN1; SMN2MTNR1BMTNR1AKDM4EMEN1
SCHEMBL1061713 0.70 SMN1; SMN2 (0.72) SMN1; SMN2MTNR1BMTNR1AKDM4EMEN1
SCHEMBL13167638 0.70 SMN1; SMN2 (0.72) SMN1; SMN2MTNR1BMTNR1AKDM4EMEN1
SCHEMBL30053231 0.70 SMN1; SMN2 (0.72) SMN1; SMN2MTNR1BMTNR1AKDM4EMEN1
SCHEMBL11001305 0.69 KDM4E (0.44) KDM4EHTTMEN1KMT2AALDH1A1
SCHEMBL11049862 0.68 SMN1; SMN2 (0.77) SMN1; SMN2MTNR1BMTNR1AKDM4EHTT
SCHEMBL4608736 0.66 SMN1; SMN2 (0.73) SMN1; SMN2MTNR1BMTNR1AKDM4EHTT
SCHEMBL25659971 0.66 RYR2 (0.45) KDM4EHTTMEN1KMT2AALDH1A1

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
WO-2011083264-A1 THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-07-14 WO claimed