SCHEMBL6980737

SCHEMBL6980737

c1ccc(Cc2nc(-c3ccncc3)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 2/20 0.60
AR P10275 1/20 0.60
LOXL2 Q9Y4K0 2/20 0.57
LTA4H P09960 1/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
CD74 P04233 1/20 0.55
MIF P14174 1/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
TAAR1 Q96RJ0 1/20 0.51
ROCK1 Q13464 2/20 0.51
PRKACA P17612 1/20 0.51
NAMPT P43490 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL14133319 0.91 ALDH1A1 (0.64) KMT2AKDM4EARLOXL2LTA4H
SCHEMBL3701935 0.84 LTA4H (0.65) KMT2AKDM4ELOXL2LTA4HMEN1
SCHEMBL12297165 0.84 SREBF2 (0.62) KMT2AKDM4ELOXL2LTA4HMEN1
SCHEMBL10610468 0.81 HDAC1 (0.46) KMT2AKDM4EARLOXL2LTA4H
SCHEMBL10374749 0.81 ALDH1A1 (0.50) KMT2AKDM4EARLOXL2LTA4H
SCHEMBL10373018 0.79 CYP19A1 (0.47) KMT2AKDM4ELOXL2LTA4HMEN1
SCHEMBL10952540 0.79 CYP19A1 (0.53) KMT2AKDM4EARMEN1ALDH1A1
SCHEMBL12890327 0.78 ALDH1A1 (0.54) KMT2AKDM4EARLOXL2LTA4H
SCHEMBL10662640 0.78 LOXL2 (0.55) KMT2AKDM4EARLOXL2LTA4H
SCHEMBL2315172 0.78 HPGDS (0.53) KMT2ALOXL2LTA4HMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828738-B1 PYRIDYL-THIAZOLES AND THEIR USE TO PROTECT PLANTS AGAINST INFECTIONS BY MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2003-12-17 EP disclosed
EP-0169502-B1 2-BENZYL-4-(2-MORPHOLINO)-4-PYRIOL) THIAZOLE MERCK & CO. INC. (US) 1990-10-31 EP disclosed
US-4725606-A AUTOIMMUNE DISEASES MERCK & CO., INC. (US) 1988-02-16 US disclosed
US-4725606-A AUTOIMMUNE DISEASES MERCK & CO., INC. (US) 1988-02-16 US disclosed
US-4725606-A AUTOIMMUNE DISEASES MERCK & CO., INC. (US) 1988-02-16 US disclosed
US-4697012-A IMMUNOLOGY, ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1987-09-29 US disclosed
US-4697012-A IMMUNOLOGY, ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1987-09-29 US disclosed
EP-0169502-A3 2-BENZYL-4-(4-PYRIDYL)THIAZOLES AND DERIVATIVES THEREOF AS IMMUNOREGULANTS 1987-02-25 EP disclosed
EP-0169502-A2 2-Benzyl-4-(2-morpholino)-4-Pyriol) Thiazole MERCK & CO. INC. (US) 1986-01-29 EP disclosed