SCHEMBL8311908

SCHEMBL8311908

CCn1cc(C=CC(=O)NC2CCNC(=O)C2)nc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 11/20 0.36
HDAC8 Q9BY41 10/20 0.36
HDAC6 Q9UBN7 10/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
SCN9A Q15858 1/20 0.35
MAPT P10636 1/20 0.35
BTK Q06187 1/20 0.33

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
SCHEMBL8315255 0.74 HDAC1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2HDAC1
SCHEMBL8313796 0.73 HDAC1 (0.44) KDM1AKDM4ENPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL8316036 0.73 SMN1; SMN2 (0.48) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8316038 0.73 SMN1; SMN2 (0.48) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8315616 0.69 MAPT (0.52) KDM1ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8316629 0.66 RAB9A (0.50) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8313443 0.65 ALDH1A1 (0.54) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL8316926 0.65 NFE2L2 (0.52) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23573535 0.64 KDM1A (0.41) KDM1ASCN9ABTKIDO1
SCHEMBL8311160 0.64 RAB9A (0.53) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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 5 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
EP-0443588-A1 Condensed thiazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP claimed
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