SCHEMBL23617814

SCHEMBL23617814

CN1CC[C@@H](c2ccc(-c3ccccn3)s2)NS1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
GLA P06280 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.38
CHRNA7 P36544 2/20 0.38
GHSR Q92847 6/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
HSD17B2 P37059 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL23617291 0.82 CYP2E1 (0.35)
SCHEMBL23617715 0.81 SMO (0.35) KDM4EALDH1A1
SCHEMBL23617592 0.80 CYP2A6 (0.42) MAPK11MAPK14HDAC3HDAC4HDAC1
SCHEMBL23617482 0.79 AKT1 (0.36)
SCHEMBL23617464 0.78 ALDH1A1 (0.44) KDM4ENPC1GLAMAPTRAB9A
SCHEMBL23617463 0.78 ALDH1A1 (0.38) KDM4ENPC1GLAMAPTRAB9A
SCHEMBL23617669 0.77 GRIN1 (0.31)
SCHEMBL23617616 0.76 IDO1 (0.32)
SCHEMBL23617255 0.76 MAPT (0.35) KDM4EMAPTRAB9AGAAALDH1A1
SCHEMBL23617542 0.74 HRH3 (0.36) KDM4ENPC1MAPTRAB9AALDH1A1

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
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed