SCHEMBL5458081

SCHEMBL5458081

Cc1ccccc1C(=O)NC(=S)N(C)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 3/20 0.46
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX12 P18054 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL9728491 0.75 NPC1 (0.53) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL5455380 0.73 ALDH1A1 (0.51) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL3140037 0.71 HPGD (0.64) NPC1KMT2APOLBALDH1A1KDM4E
SCHEMBL5458075 0.70 ALDH1A1 (0.67) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL3397939 0.69 NPC1 (0.60) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL2153795 0.69 HTT (0.71) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL19294522 0.68 KDM4E (0.74) NPC1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL29231950 0.68 HPGD (0.66) NPC1KMT2APOLBALDH1A1KDM4E
SCHEMBL6469132 0.67 MEN1 (0.71) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL1694938 0.66 LMNA (0.41) NPC1KMT2AMEN1POLBALDH1A1

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