SCHEMBL9587799

SCHEMBL9587799

CCOC(=O)c1ncsc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 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
SCHEMBL9588826 0.90 MAPT (0.45) MAPTKDM4ENPC1TSHRPOLB
SCHEMBL13398594 0.86 GABRG2 (0.43) MAPTKDM4ENPC1RAB9AMAPK1
SCHEMBL4371383 0.86 ALPL (0.49) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL9586819 0.85 GRM6 (0.54) MAPTKDM4ENPC1RAB9ACDC7
SCHEMBL9587129 0.82 TARBP2 (0.53) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL4373661 0.80 MAPT (0.53) MAPTKDM4ENPC1TSHRPOLB
SCHEMBL9585878 0.80 TRPM8 (0.53) MAPTKDM4EGABRA2GABRB2
SCHEMBL9586307 0.80 CDC7 (0.47) MAPTKDM4ENPC1TSHRRAB9A
SCHEMBL4380087 0.80 KDM4E (0.51) MAPTKDM4ENPC1TSHRRAB9A
SCHEMBL9586344 0.79 L3MBTL1 (0.46) MAPTKDM4ENPC1RAB9AHSD17B10

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
US-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 US disclosed