SCHEMBL9706492

SCHEMBL9706492

COc1ccc(-c2csc(NC(=O)N3CCN(C)CC3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.62
GSTO1 P78417 1/20 0.60
ALDH1A1 P00352 7/20 0.59
MAPT P10636 6/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 7/20 0.59
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MAPK1 P28482 5/20 0.58
NPC1 O15118 4/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TP53 P04637 2/20 0.57
ROCK1 Q13464 2/20 0.57
ROCK2 O75116 1/20 0.57
NPSR1 Q6W5P4 3/20 0.56

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
SCHEMBL9370411 0.90 ACHE (0.67) ACHEGSTO1ALDH1A1MAPTMEN1
SCHEMBL9374536 0.89 MEN1 (0.60) ACHEGSTO1ALDH1A1MAPTMEN1
SCHEMBL9376371 0.88 LMNA (0.78) ACHEGSTO1ALDH1A1MAPTMEN1
SCHEMBL9370547 0.88 LMNA (0.58) ACHEALDH1A1MAPTMEN1KMT2A
SCHEMBL9373340 0.87 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9371420 0.86 ACHE (0.57) ACHEGSTO1ALDH1A1MAPTMEN1
SCHEMBL9370662 0.86 ACHE (0.60) ACHEGSTO1ALDH1A1MAPTMEN1
SCHEMBL9376664 0.86 ABL1 (0.63) GSTO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9378451 0.86 LMNA (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9370494 0.86 LMNA (0.61) MEN1KMT2ALMNARAB9ASMN1; SMN2

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-0519449-A1 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-23 EP disclosed