SCHEMBL8313796

SCHEMBL8313796

Cn1cnc(C=CC(=O)NC2CCNC(=O)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 1/20 0.44
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SCN9A Q15858 4/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
KDM1A O60341 1/20 0.33
QPCT Q16769 1/20 0.33
KDM5A P29375 1/20 0.32
PFKFB3 Q16875 1/20 0.32
SYK P43405 1/20 0.32
MAPT P10636 2/20 0.31
PIK3CD O00329 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
BTK Q06187 1/20 0.31
HPGD P15428 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
SCHEMBL8311908 0.73 KDM1A (0.37) HDAC1HDAC2RAB9ASMN1; SMN2NPC1
SCHEMBL8313443 0.67 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL8316926 0.67 NFE2L2 (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL8315616 0.66 MAPT (0.52) HDAC1HDAC2RAB9ASMN1; SMN2NPC1
SCHEMBL27258760 0.66 MTNR1A (0.44) ALDH1A1KDM4ESCN9ASCN10AKDM1A
SCHEMBL3803230 0.66 HDAC1 (0.52) HDAC1HDAC2RAB9ASMN1; SMN2NPC1
SCHEMBL14619953 0.66 HDAC1 (0.52) HDAC1HDAC2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7757786 0.66 HDAC1 (0.52) HDAC1HDAC2RAB9ASMN1; SMN2NPC1
SCHEMBL2073331 0.66 HDAC1 (0.52) HDAC1HDAC2RAB9ASMN1; SMN2NPC1
SCHEMBL8316629 0.66 RAB9A (0.50) HDAC1RAB9ASMN1; SMN2NPC1ALDH1A1

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-0443588-B1 Condensed thiazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-23 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