SCHEMBL6984467

SCHEMBL6984467

CCOC(=O)c1csc(NC(=O)c2cccc(C#N)c2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.77
KDM4E B2RXH2 4/20 0.77
ALDH1A1 P00352 3/20 0.77
RAB9A P51151 6/20 0.71
NPC1 O15118 4/20 0.71
HSP90AA1 P07900 3/20 0.64
MAPK1 P28482 2/20 0.64
MAPT P10636 1/20 0.64
LMNA P02545 4/20 0.63
HSD17B10 Q99714 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TDP1 Q9NUW8 1/20 0.59
HPGD P15428 3/20 0.59
TSHR P16473 1/20 0.59
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL6981021 0.89 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL8150672 0.88 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL13156875 0.85 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL3597627 0.84 SMN1; SMN2 (0.75) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL3594194 0.83 RAB9A (1.00) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL3608132 0.81 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL6799592 0.81 RAB9A (0.77) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL3607419 0.78 LMNA (0.71) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL6981531 0.78 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL6968584 0.78 LMNA (1.00) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1

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-0934938-B1 SUBSTITUTED BENZOYLAMINOTHIAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 2003-01-15 EP disclosed
US-6121301-A ADMINISTERING TO PREVENT OR TREAT GASTROINTESTINAL DYSMOTILITY; COMPOUNDS SUCH AS 2-((N-(3-CYANOBENZOYL)AMINO)-4-((3-DIISOPROPYLAMINOPROPYL)AMINOCARBONYL)-1,3-THIAZOLE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
EP-0934938-A1 SUBSTITUTED BENZOYLAMINOTHIAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed