SCHEMBL3971356

SCHEMBL3971356

CC(C)(NCc1ccc(SCc2ccccc2)cc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
HAO1 Q9UJM8 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HDAC3 O15379 2/20 0.43
NCOR1 O75376 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
POLB P06746 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2850028 0.85 RIPK1 (0.49) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL919039 0.76 KMT2A (0.46) MEN1KMT2AKDM4EALDH1A1HDAC1
SCHEMBL1070481 0.76 SLC6A4 (0.54) SLC6A4PPARGPPARAMAOAMAOB
SCHEMBL3294896 0.76 SLC6A4 (0.54) SLC6A4PPARGPPARAMAOAMAOB
SCHEMBL24669212 0.75 IDO1 (0.54) MEN1KMT2AALDH1A1HDAC1POLB
SCHEMBL8433732 0.75 SLC6A4 (0.52) SLC6A4HAO1MEN1KMT2AKDM4E
SCHEMBL21605451 0.72 RIPK1 (0.51) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL24965924 0.72 RIPK1 (0.51) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL920120 0.72 PPARA (0.41) MEN1KMT2AKDM4ENPC1PPARG
SCHEMBL13536766 0.71 SMN1; SMN2 (0.46) ALDH1A1POLBNPC1RAB9ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US claimed
EP-0842143-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP claimed
WO-1997005102-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 WO claimed
EP-0842143-B3 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2009-02-18 EP disclosed
EP-0842143-B1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2001-06-13 EP disclosed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US disclosed
EP-0842143-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP disclosed
WO-1997005102-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 WO disclosed