SCHEMBL6975826

SCHEMBL6975826

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.71
KDM4E B2RXH2 5/20 0.71
ALDH1A1 P00352 3/20 0.71
RAB9A P51151 4/20 0.54
MAPT P10636 3/20 0.54
HSP90AA1 P07900 2/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 4/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 3/20 0.52
GLA P06280 1/20 0.52
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 2/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6984185 0.84 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT
Hydrochloric Acid SCHEMBL8311791 0.83 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT
SCHEMBL6978218 0.83 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT
SCHEMBL6978613 0.81 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT
SCHEMBL6968553 0.76 ACHE (0.64) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT
SCHEMBL6982324 0.76 ACHE (0.56) SMN1; SMN2KDM4EALDH1A1RAB9AMAPK1
SCHEMBL6985089 0.75 KDM4E (0.69) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT
Hydrochloric Acid SCHEMBL8156063 0.75 ACHE (0.56) SMN1; SMN2KDM4EALDH1A1RAB9AMAPK1
SCHEMBL6983031 0.74 ACHE (0.64) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT
SCHEMBL6984467 0.74 SMN1; SMN2 (0.77) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT

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