SCHEMBL3845374

SCHEMBL3845374

CN(C(=O)C1CC1)c1cscn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
USP30 Q70CQ3 3/20 0.33
SYK P43405 2/20 0.33
FASN P49327 3/20 0.33
HSD17B10 Q99714 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 2/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL3161028 0.78 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1TSHRRAB9A
SCHEMBL3160952 0.76 KDM4E (0.40) KDM4EALDH1A1TSHR
SCHEMBL19117629 0.69 OPRL1 (0.42) KDM4EUSP30FASNHSD17B10SMN1; SMN2
SCHEMBL28358210 0.69 KDM4E (0.40) KDM4EALDH1A1TSHR
SCHEMBL19117709 0.69 USP30 (0.38) KDM4EUSP30SYKFASNHSD17B10
SCHEMBL11354719 0.69 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL2793256 0.68 USP30 (0.44) USP30SYKFASN
SCHEMBL27648051 0.68
SCHEMBL7666637 0.67
SCHEMBL16904543 0.67 USP30 (0.42) KDM4EUSP30SYKFASNSMN1; SMN2

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
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed