SCHEMBL5445792

SCHEMBL5445792

Cc1cccc(NC(=S)NC(=O)c2cccc3ccccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.65
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
ALOX12 P18054 4/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.65
KCNH2 Q12809 1/20 0.65
MAPT P10636 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 3/20 0.63
HTT P42858 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 2/20 0.60
MITF O75030 1/20 0.57
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
HPGD P15428 2/20 0.56
STAT1 P42224 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL5453211 0.86 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1ALOX12KCNH2
SCHEMBL20847994 0.86 NPC1 (0.73) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL5450344 0.85 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1ALOX12KCNH2
SCHEMBL1514749 0.84 RAB9A (0.65) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL28892777 0.80 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL5443694 0.79 MITF (0.63) ALDH1A1KMT2AMEN1ALOX12CYP2C19
SCHEMBL3054964 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1ALOX12CYP1A2
SCHEMBL27446979 0.76 NPC1 (0.75) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL1337541 0.76 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL5453761 0.76 KMT2A (0.78) ALDH1A1KMT2AMEN1ALOX12MAPT

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