SCHEMBL11577320

SCHEMBL11577320

CCOc1sc(C)nc1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
CACNA2D1 P54289 1/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.30

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
SCHEMBL11322750 0.81 HPGD (0.34) KDM4EHSD17B10HPGDUSP2ALDH1A1
SCHEMBL28427978 0.74 KDM4E (0.36) MAPTKDM4EHSD17B10MAPK1CACNA2D1
SCHEMBL12862548 0.72 SLC6A3 (0.40) KDM4EHSD17B10HPGDUSP2ALDH1A1
SCHEMBL11577322 0.71 TP53 (0.35) TP53MAPTKDM4EHSD17B10MAPK1
SCHEMBL9368367 0.69 KDM4E (0.41) KDM4EHSD17B10MAPK1MEN1KMT2A
SCHEMBL11576182 0.69 CACNA2D1 (0.34) TP53MAPTKDM4EHSD17B10CACNA2D1
SCHEMBL10441283 0.64 HPGD (0.38) KDM4EHSD17B10HPGDUSP2ALDH1A1
SCHEMBL9365019 0.63 CA2 (0.45) KDM4EHSD17B10MAPK1MEN1KMT2A
SCHEMBL18157127 0.63 KDM4E (0.36) KDM4EHSD17B10MAPK1MEN1KMT2A
SCHEMBL28830092 0.63 FBP1 (0.34) KDM4EHSD17B10MAPK1HPGDALDH1A1

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-RE29843-E Substituted thiazoles and flavoring processes and products produced thereby INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US claimed
US-RE29843-E Substituted thiazoles and flavoring processes and products produced thereby INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed