SCHEMBL5448199

SCHEMBL5448199

Cc1ccc(NC(=S)NC(=O)c2occc2C)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
GAA P10253 4/20 0.57
MAPT P10636 2/20 0.57
ALOX12 P18054 2/20 0.57
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GRM1 Q13255 3/20 0.47
GRM4 Q14833 2/20 0.47
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.45
CYP1A2 P05177 1/20 0.45
GRM7 Q14831 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
SCHEMBL5448122 0.83 NPC1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL5453556 0.82 SMN1; SMN2 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL5450444 0.81 GRM1 (0.55) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5451832 0.79 ALDH1A1 (0.80) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL5445578 0.78 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5452736 0.78 ALDH1A1 (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL5456687 0.76 ALDH1A1 (0.67) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL5452558 0.75 EPHX1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL5449907 0.75 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL31388347 0.74 KMT2A (0.71) ALDH1A1RAB9ASMN1; SMN2NPC1GAA

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