SCHEMBL8339014

SCHEMBL8339014

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.72
KDM4E B2RXH2 4/20 0.72
GAA P10253 4/20 0.72
SMN1; SMN2 Q16637 5/20 0.69
NPC1 O15118 2/20 0.68
POLB P06746 1/20 0.68
ALDH1A1 P00352 4/20 0.58
TARBP2 Q15633 1/20 0.56
XDH P47989 1/20 0.56
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
PPARA Q07869 1/20 0.56
MAPT P10636 3/20 0.53
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 1/20 0.50
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL15655148 0.88 RAB9A (0.68) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL981341 0.87 SMN1; SMN2 (0.71) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL13883779 0.85 SMN1; SMN2 (0.70) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8343878 0.84 PPARA (0.55) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL892234 0.84 RAB9A (1.00) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL289112 0.83 SMN1; SMN2 (0.93) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867051 0.83 RAB9A (0.79) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL2011167 0.83 RAB9A (0.79) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL1327631 0.82 SMN1; SMN2 (1.00) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL3368828 0.82 CDC7 (0.70) KDM4EGAANPC1ALDH1A1PPARG

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
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 WO disclosed