SCHEMBL5452802

SCHEMBL5452802

Cc1ccoc1C(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
SIRT1 Q96EB6 10/20 0.50
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SIRT2 Q8IXJ6 7/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
SIRT3 Q9NTG7 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL5456707 0.89 MEN1 (0.51) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL5453556 0.87 SMN1; SMN2 (0.52) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL5449907 0.84 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL5452558 0.84 EPHX1 (0.56) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL5445865 0.82 SMN1; SMN2 (0.57) ALDH1A1MAPTSMN1; SMN2LMNASIRT1
SCHEMBL12067341 0.79 SIRT1 (0.71) ALDH1A1MAPTSMN1; SMN2LMNASIRT1
SCHEMBL5447964 0.79 GRM1 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL5456442 0.77 SMN1; SMN2 (0.58) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL2344788 0.77 KMT2A (0.68) ALDH1A1MAPTSMN1; SMN2LMNASIRT1
SCHEMBL12940302 0.77 SIRT1 (0.65) ALDH1A1MAPTSMN1; SMN2LMNASIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed