SCHEMBL7464845

SCHEMBL7464845

[NH]C(=O)c1ccc(-c2cscn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.49
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45
KDM5C P41229 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
ESR1 P03372 1/20 0.43
PARP1 P09874 1/20 0.42
KAT6A Q92794 1/20 0.39
ATR Q13535 1/20 0.39
METAP1 P53582 1/20 0.37
SYK P43405 2/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL600911 0.84 KDM4A (0.58) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL6512655 0.82 CHEK2 (0.49) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL7464854 0.82 CHEK2 (0.68) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL3193132 0.78 ALDH1A1 (0.49) CHEK2ESR1KDM4EALDH1A1RAB9A
SCHEMBL3245236 0.75 CHEK2 (0.41) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL496710 0.75 LTA4H (0.47) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL6512842 0.72 RAB9A (0.47) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL6514170 0.72 PLOD2 (0.53) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL7863726 0.71 ESR1 (0.41) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL9842300 0.71 KAT6A (0.42) CHEK2KDM4AKDM4BKDM5CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP disclosed
US-6458959-B1 VIRICIDES AND ENZYME INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-10-01 US disclosed
US-6348477-B1 SUBSTITUTED PHENYL THIAZOLE DERIVATIVES AS VIRICIDES BOEHRINGER INGELHEIM(CANADA) LTD. (CA) 2002-02-19 US disclosed
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 US disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed