SCHEMBL4968797

SCHEMBL4968797

COC(=O)Cc1csc(NC(C)=O)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
GAA P10253 1/20 0.56
AOC3 Q16853 1/20 0.53
LMNA P02545 2/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
HTT P42858 2/20 0.52
MAPK1 P28482 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL6220893 0.87 MAPT (0.74) SMN1; SMN2KMT2AALDH1A1MAPTNPC1
SCHEMBL4890267 0.85 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AALDH1A1RAB9ANPC1
SCHEMBL2788439 0.84 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AALDH1A1MAPTRAB9A
SCHEMBL6878797 0.84 ALDH1A1 (0.62) SMN1; SMN2KMT2AALDH1A1MAPTRAB9A
SCHEMBL6877987 0.84 GAA (0.59) SMN1; SMN2KMT2AALDH1A1RAB9ANPC1
SCHEMBL4294435 0.83 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AALDH1A1MAPTRAB9A
SCHEMBL7419507 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL9329409 0.81 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AALDH1A1MAPTRAB9A
SCHEMBL13352089 0.81 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AALDH1A1MAPTRAB9A
SCHEMBL3933173 0.80 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AALDH1A1MAPTRAB9A

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
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO disclosed
WO-1993004070-A1 SUBSTITUTED ACRYLAMIDO-PENICILLANIC ACID DERIVATIVES SMITHKLINE BEECHAM, PLC (GB) 1993-03-04 WO disclosed
EP-0421752-A2 Substituted acrylamido-penicillanic acid derivatives Beecham Group p.l.c. (GB) 1991-04-10 EP disclosed
US-4954489-A ACYLATION BEECHAM GROUP P.L.C. (GB) 1990-09-04 US disclosed
EP-0337643-A2 6-Substituted acrylamido penicillanic acid derivatives, preparation and use BEECHAM GROUP PLC (GB) 1989-10-18 EP disclosed