SCHEMBL7427545

SCHEMBL7427545

CC(C)(C)OC(=O)CC(NS(=O)(=O)c1ccccc1F)C(=O)Cn1nnc(-c2ccccc2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
HPGD P15428 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 4/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 4/20 0.42
USP2 O75604 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 3/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 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
SCHEMBL7429767 0.88 NPC1 (0.52) RAB9AHPGDL3MBTL1NPC1MAPT
SCHEMBL7447168 0.79 RAB9A (0.60) RAB9AHPGDL3MBTL1NPC1MAPT
Hydrochloric Acid SCHEMBL7447162 0.78 RAB9A (0.59) RAB9AHPGDL3MBTL1NPC1MAPT
SCHEMBL7446400 0.76 RAB9A (0.49) RAB9AHPGDL3MBTL1NPC1MAPT
SCHEMBL7687226 0.73 ALDH1A1 (0.39) RAB9AHPGDL3MBTL1NPC1MAPT
SCHEMBL7443839 0.72 CASP1 (0.45) RAB9AHPGDL3MBTL1NPC1MAPT
SCHEMBL7438485 0.70 CYP1A2 (0.44) RAB9AHPGDL3MBTL1NPC1MAPT
SCHEMBL7431049 0.70 CYP1A2 (0.49) RAB9AHPGDL3MBTL1NPC1MEN1
SCHEMBL7443556 0.70 CYP1A2 (0.47) RAB9AHPGDL3MBTL1NPC1MAPT
SCHEMBL7434041 0.68 CYP1A2 (0.47) RAB9AHPGDL3MBTL1NPC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed