SCHEMBL6983031

SCHEMBL6983031

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.64
SMN1; SMN2 Q16637 6/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 4/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 4/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
HSP90AA1 P07900 2/20 0.47
NPC1 O15118 2/20 0.47
HSD17B10 Q99714 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.43
MAPKAPK2 P49137 2/20 0.43
MAP2K1 Q02750 1/20 0.43
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL6976891 0.89 ACHE (0.61) ACHESMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6981293 0.89 ACHE (0.61) ACHESMN1; SMN2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL8150216 0.88 ACHE (0.61) ACHESMN1; SMN2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL8155541 0.88 ACHE (0.61) ACHESMN1; SMN2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL6973524 0.88 ACHE (0.60) ACHESMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6974805 0.87 ACHE (0.58) ACHESMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL27407162 0.87 ACHE (0.48) ACHESMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6962578 0.87 ACHE (0.58) ACHESMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1446753 0.86 ACHE (0.73) ACHESMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6984185 0.86 SMN1; SMN2 (0.59) ACHESMN1; SMN2KDM4EALDH1A1LMNA

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 1 patent. 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