SCHEMBL8314532

SCHEMBL8314532

Cc1ccc(-c2nc3c(s2)NCCC3)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PARP1 P09874 1/20 0.33
CYP1A1 P04798 1/20 0.33
LMNA P02545 1/20 0.33
UHRF1 Q96T88 1/20 0.33
NUDT1 P36639 1/20 0.32
ACHE P22303 4/20 0.32
NOS3 P29474 1/20 0.31

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
Hydrochloric Acid SCHEMBL8317512 0.99 RAB9A (0.39) RAB9ATSHRHSD17B10ALDH1A1NPC1
SCHEMBL8314378 0.97 RAB9A (0.40) RAB9ATSHRHSD17B10ALDH1A1NPC1
Hydrochloric Acid SCHEMBL8311899 0.96 RAB9A (0.39) RAB9ATSHRHSD17B10ALDH1A1NPC1
Hydrochloric Acid SCHEMBL8313444 0.86 ALDH1A1 (0.39) RAB9ATSHRHSD17B10ALDH1A1NPC1
Hydrochloric Acid SCHEMBL8315182 0.81 PARP1 (0.37) HSD17B10ALDH1A1KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL8317111 0.81 BCHE (0.31) ACHEBCHEGRIN1GRIN2A
SCHEMBL8315862 0.80 ALOX5 (0.44) RAB9AHSD17B10ALDH1A1NPC1KDM4E
SCHEMBL8312064 0.79 KDM4E (0.36) TSHRHSD17B10ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8316051 0.78 BCHE (0.31) ACHEBCHEGRIN1GRIN2A
SCHEMBL8310477 0.77 CYP11B1 (0.40) TSHRHSD17B10ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443588-B1 Condensed thiazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-23 EP claimed
US-5153201-A Inhibitors of lipoperoxide and lipoxygenase; antiischemic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-06 US claimed
EP-0443588-A1 Condensed thiazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP claimed
EP-0679642-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-11-10 EP disclosed
EP-0443588-B1 Condensed thiazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-23 EP disclosed
US-5654296-A HORMONE INHIBITOR; NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed
US-5607939-A CALCIUM ANTAGONIST, GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND MONOAMINEU UPTAKE INHIBITORS FOR CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-04 US disclosed
EP-0679642-A1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-02 EP disclosed
US-5153201-A Inhibitors of lipoperoxide and lipoxygenase; antiischemic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed
EP-0443588-A1 Condensed thiazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP disclosed