SCHEMBL6958645

SCHEMBL6958645

COc1cc(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)c(C(C)C)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.69
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 2/20 0.43
MAPKAPK2 P49137 2/20 0.43
MAP2K1 Q02750 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RAD52 P43351 3/20 0.40
UHRF1 Q96T88 1/20 0.40
SMARCA2 P51531 1/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MCHR1 Q99705 2/20 0.39
MEN1 O00255 1/20 0.39
MME P08473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTK2 Q05397 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6967849 0.88 ACHE (0.80) ACHELMNANPSR1HSD17B10MAPK1
SCHEMBL6971357 0.88 ACHE (0.66) ACHELMNANPSR1HSD17B10MAPK1
SCHEMBL6974374 0.87 ACHE (0.62) ACHELMNANPSR1HSD17B10MAPK1
SCHEMBL6976033 0.87 ACHE (0.65) ACHELMNANPSR1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL6971323 0.86 ACHE (0.65) ACHELMNANPSR1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL6976088 0.86 ACHE (0.65) ACHELMNANPSR1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL6969005 0.86 ACHE (0.65) ACHELMNANPSR1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL6973476 0.85 ACHE (0.64) ACHELMNANPSR1HSD17B10MAPK1
SCHEMBL6970669 0.85 ACHE (0.62) ACHELMNANPSR1HSD17B10MAPK1
Maleic Acid SCHEMBL6974397 0.85 ACHE (0.61) ACHELMNANPSR1HSD17B10MAPK1

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-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed