SCHEMBL6985901

SCHEMBL6985901

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 5/20 0.61
MAPT P10636 5/20 0.45
RAB9A P51151 2/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 4/20 0.45
PKM P14618 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.43
DUSP3 P51452 1/20 0.41
ACHE P22303 2/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HPGD P15428 2/20 0.40
MAPKAPK2 P49137 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
SCHEMBL6981531 0.88 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL8150064 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL6984185 0.86 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL8311791 0.85 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL6978218 0.85 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL6985089 0.78 KDM4E (0.69) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL6978613 0.78 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
Fumaric Acid SCHEMBL6971425 0.75 NPSR1 (0.58) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
Maleic Acid SCHEMBL6971412 0.75 NPSR1 (0.58) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL6982324 0.75 ACHE (0.56) SMN1; SMN2KDM4EALDH1A1RAB9AMAPK1

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