SCHEMBL8935425

SCHEMBL8935425

CNC(=O)[C@H](CO)NCc1ccc(SCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
SLC6A4 P31645 1/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 2/20 0.40
FCER2 P06734 2/20 0.40
ADAM17 P78536 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDCD1 Q15116 2/20 0.39

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
SCHEMBL8935431 1.00 MEN1 (0.44) MEN1KMT2AKDM4ESLC6A4POLB
SCHEMBL10013375 0.87 PSMB5 (0.46) KMT2AMMP1FCER2ADAM17PDCD1
SCHEMBL8935308 0.85 PDCD1 (0.44) LMNASMN1; SMN2MMP1FCER2PDCD1
SCHEMBL8935301 0.85 PDCD1 (0.44) LMNASMN1; SMN2MMP1FCER2PDCD1
SCHEMBL9514815 0.84 FFAR1 (0.43) ALDH1A1MMP1FCER2L3MBTL1PDCD1
SCHEMBL7402132 0.84 FFAR1 (0.43) ALDH1A1MMP1FCER2L3MBTL1PDCD1
SCHEMBL8935368 0.82 FFAR1 (0.51) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL7397778 0.82 FFAR1 (0.51) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL9514811 0.78 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7402130 0.78 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed