SCHEMBL5445865

SCHEMBL5445865

Cc1occc1C(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
SIRT1 Q96EB6 6/20 0.50
PKM P14618 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SIRT2 Q8IXJ6 5/20 0.48
POLB P06746 1/20 0.48
SIRT3 Q9NTG7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 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
SCHEMBL5453400 0.89 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL5455033 0.84 NPC1 (0.60) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL5446625 0.84 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL5449642 0.84 RAB9A (0.60) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL5452802 0.82 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL5451777 0.82 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL5445679 0.79 ALDH1A1 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL12067341 0.79 SIRT1 (0.71) SMN1; SMN2ALDH1A1MAPTLMNASIRT1
SCHEMBL14096064 0.77 GAA (0.53) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL16677197 0.77 MIF (0.66) SMN1; SMN2ALDH1A1MAPTLMNASIRT1

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