SCHEMBL9515547

SCHEMBL9515547

Cc1nc(C=Cc2cccc(NCCC(=O)O)c2)sc1C.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 5/20 0.38
ALB P02768 1/20 0.36
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS1 P23219 1/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9515533 1.00 KMT2A (0.38) KMT2AKDM4EALBHDAC4MEF2D
SCHEMBL9515540 0.88 HDAC4 (0.35) KMT2AKDM4EALBHDAC4MEF2D
SCHEMBL9514406 0.82 ALOX5 (0.48) KMT2AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL10720978 0.82 ALOX5 (0.48) KMT2AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9516871 0.77 ALDH1A1 (0.45) KMT2AKDM4EALBHDAC4MEF2D
SCHEMBL9518116 0.76 ALOX5 (0.46) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL9518105 0.76 ALOX5 (0.46) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL11652801 0.70 KMT2A (0.46) KMT2AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9514403 0.70 ALOX5 (0.47) KMT2AKDM4EHDAC4MEF2DALDH1A1
SCHEMBL9516929 0.70 HDAC1 (0.52) KMT2AKDM4EALBHDAC4MEF2D

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
EP-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed