SCHEMBL6984091

SCHEMBL6984091

COC(=O)Nc1cccc(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
PAX8 Q06710 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAP2K1 Q02750 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PHGDH O43175 1/20 0.41
MCHR1 Q99705 1/20 0.40
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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 SCHEMBL8147530 0.99 ACHE (0.60) ACHESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6961470 0.91 ACHE (0.57) ACHESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6985028 0.90 ACHE (0.56) ACHESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6981293 0.89 ACHE (0.61) ACHESMN1; SMN2NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL8155541 0.88 ACHE (0.61) ACHESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6962160 0.87 ACHE (0.55) ACHESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6984499 0.87 ACHE (0.55) ACHESMN1; SMN2NPC1RAB9AHPGD
Oxalic Acid SCHEMBL8141022 0.85 ACHE (0.53) ACHESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6975566 0.85 ACHE (0.58) ACHESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6981511 0.83 ACHE (0.57) ACHENPC1RAB9AKMT2AKDM4E

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