SCHEMBL4692024

SCHEMBL4692024

COc1ccccc1C=C(NC(=O)c1sc(C)nc1C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
RAB9A P51151 3/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 4/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GLO1 Q04760 1/20 0.44
UBE2N P61088 1/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
PLIN1 O60240 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL4692021 1.00 MAPT (0.64) MAPTKMT2AMEN1RAB9ARECQL
SCHEMBL4688198 0.85 MAPT (0.55) MAPTKMT2AMEN1RAB9ARECQL
SCHEMBL4688204 0.85 MAPT (0.55) MAPTKMT2AMEN1RAB9ARECQL
SCHEMBL4688338 0.79 LMNA (0.52) MAPTKMT2ARAB9AKDM4ELMNA
SCHEMBL4688334 0.79 LMNA (0.52) MAPTKMT2ARAB9AKDM4ELMNA
SCHEMBL4691246 0.76 KDM4E (0.57) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL4691245 0.76 KDM4E (0.57) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL4687303 0.75 SMN1; SMN2 (0.57) MAPTKMT2ARAB9AKDM4ELMNA
SCHEMBL4687309 0.75 SMN1; SMN2 (0.57) MAPTKMT2ARAB9AKDM4ELMNA
SCHEMBL4692062 0.73 KDM4E (0.57) MAPTKMT2ARAB9AKDM4ELMNA

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
EP-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 WO disclosed