SCHEMBL6978613

SCHEMBL6978613

COC(=O)c1csc(NC(=O)c2ccc(C#N)cc2)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.79
KDM4E B2RXH2 5/20 0.79
ALDH1A1 P00352 4/20 0.79
MAPT P10636 4/20 0.58
RAB9A P51151 3/20 0.58
HSP90AA1 P07900 2/20 0.58
MAPK1 P28482 1/20 0.58
POLB P06746 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NPC1 O15118 2/20 0.55
LMNA P02545 5/20 0.52
HSD17B10 Q99714 2/20 0.52
DUSP3 P51452 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
HPGD P15428 3/20 0.50
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.47
MAPKAPK2 P49137 1/20 0.46

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 0.86 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL6985089 0.86 KDM4E (0.69) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL8150672 0.85 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL6975826 0.81 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL6985901 0.78 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL14482064 0.76 MAOA (0.51) SMN1; SMN2KDM4EALDH1A1RAB9APOLB
SCHEMBL6984185 0.76 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL5731231 0.76 KDM4E (0.69) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL12248866 0.76 KDM4E (0.69) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL6984467 0.75 SMN1; SMN2 (0.77) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A

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