SCHEMBL5459767

SCHEMBL5459767

CC(C)(C)c1ccc(NC(=S)NC(=O)c2ccoc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SIRT1 Q96EB6 10/20 0.57
SIRT2 Q8IXJ6 7/20 0.55
SIRT3 Q9NTG7 1/20 0.54
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
EPHX1 P07099 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5455082 0.87 ALDH1A1 (0.53) ALDH1A1MAPTLMNANPSR1EPHX1
SCHEMBL12067341 0.86 SIRT1 (0.71) ALDH1A1MAPTLMNASMN1; SMN2SIRT1
SCHEMBL28662121 0.83 SIRT1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2SIRT1
SCHEMBL5453192 0.82 EPHX1 (0.65) ALDH1A1MAPTLMNASMN1; SMN2SIRT1
SCHEMBL5454023 0.82 EPHX1 (0.49) ALDH1A1SMN1; SMN2NPSR1EPHX1KDM4E
SCHEMBL5464193 0.82 ALDH1A1 (0.59) ALDH1A1MAPTLMNASMN1; SMN2SIRT2
SCHEMBL2344788 0.81 KMT2A (0.68) ALDH1A1MAPTLMNASMN1; SMN2SIRT1
SCHEMBL907582 0.81 SIRT1 (0.65) ALDH1A1MAPTLMNASMN1; SMN2SIRT1
SCHEMBL12940302 0.81 SIRT1 (0.65) ALDH1A1MAPTLMNASMN1; SMN2SIRT1
SCHEMBL16677195 0.81 SIRT1 (0.65) ALDH1A1MAPTLMNASMN1; SMN2SIRT1

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