SCHEMBL6976891

SCHEMBL6976891

CC(=O)c1ccc(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 4/20 0.44
MAPK1 P28482 3/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPKAPK2 P49137 4/20 0.44
MAP2K1 Q02750 1/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 2/20 0.41
PHGDH O43175 1/20 0.41
POLB P06746 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
Hydrochloric Acid SCHEMBL8150216 0.99 ACHE (0.61) ACHESMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6962578 0.91 ACHE (0.58) ACHESMN1; SMN2ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL6973524 0.89 ACHE (0.60) ACHESMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6983031 0.89 ACHE (0.64) ACHESMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6974805 0.89 ACHE (0.58) ACHESMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6977060 0.88 ACHE (0.57) ACHESMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6984185 0.88 SMN1; SMN2 (0.59) ACHESMN1; SMN2ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL8150680 0.87 ACHE (0.58) ACHESMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6981293 0.87 ACHE (0.61) ACHESMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6977695 0.87 ACHE (0.56) ACHESMN1; SMN2ALDH1A1LMNAKDM4E

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