SCHEMBL5960388

SCHEMBL5960388

Cc1n[c]sc1-c1csc(Nc2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 9/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 4/20 0.46
OPRM1 P35372 2/20 0.45
MCL1 Q07820 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CSNK2A1 P68400 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7170398 0.80 L3MBTL1 (0.80) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL4507867 0.77 MMP9 (0.69) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL1886477 0.76 NPC1 (0.80) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL7166063 0.74 NPC1 (0.69) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL17128088 0.70 MAPT (0.67) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL838060 0.69 RAB9A (0.58) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL15096814 0.68 NPC1 (0.55) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL347317 0.68 SMN1; SMN2 (0.52) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL347316 0.68 SMN1; SMN2 (0.52) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL31122061 0.67 MAPK1 (0.50) L3MBTL1NPC1MAPTMEN1KMT2A

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
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 WO disclosed