SCHEMBL10013482

SCHEMBL10013482

Cc1cnc(-c2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.54
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 2/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HPGDS O60760 1/20 0.44
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41

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
SCHEMBL158096 0.96 HDAC4 (0.52) HDAC4CYP11B1CYP11B2NPC1RAB9A
Boric Acid SCHEMBL31280193 0.89 HDAC4 (0.51) HDAC4CYP11B1CYP11B2NPC1RAB9A
SCHEMBL14195551 0.88 HDAC4 (0.48) HDAC4CYP11B1CYP11B2NPC1RAB9A
SCHEMBL10013485 0.86 SMN1; SMN2 (0.46) HDAC4CYP11B1CYP11B2NPC1RAB9A
SCHEMBL14555283 0.84 HDAC4 (0.48) HDAC4NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL890214 0.83 SMN1; SMN2 (0.47) HDAC4CYP11B1CYP11B2NPC1RAB9A
SCHEMBL14195545 0.82 HDAC4 (0.43) HDAC4CYP11B1CYP11B2NPC1RAB9A
SCHEMBL18725088 0.82 HDAC4 (0.44) HDAC4CYP11B1CYP11B2NPC1RAB9A
SCHEMBL11691090 0.81 HSD17B1 (0.49) HDAC4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2090445 0.80 APP (0.44) HDAC4NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148543-B2 A benzene or polycondensed aromatic ring substituted with substituted thiazole groups; storage stability and high ON current CANON KABUSHIKI KAISHA (JP) 2012-04-03 US disclosed
US-8148543-B2 A benzene or polycondensed aromatic ring substituted with substituted thiazole groups; storage stability and high ON current CANON KABUSHIKI KAISHA (JP) 2012-04-03 US disclosed