SCHEMBL10367261

SCHEMBL10367261

COC(=O)c1nc(C)c(-c2ccnnc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
XIAP P98170 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PKM P14618 2/20 0.34
CDC7 O00311 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
SCHEMBL10365699 0.84 CDC7 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL10365452 0.83 CYP3A4 (0.38) MAPTMEN1LMNAKMT2AXIAP
SCHEMBL1260040 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL17212174 0.77 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL1260873 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL31479971 0.75 ALDH1A1 (0.41) ALDH1A1HPGDMAPTSMN1; SMN2HSD17B10
SCHEMBL27604844 0.75 PIK3CD (0.46) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL10364884 0.74 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL10365456 0.74 HTR2C (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL10365587 0.72 ALDH1A1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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-0199968-B1 THIAZOLE DERIVATIVES ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1990-02-28 EP disclosed
US-4804668-A CARDIOTONIC AGENTS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1989-02-14 US disclosed
EP-0199968-A1 Thiazole derivatives ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1986-11-05 EP disclosed