SCHEMBL5453400

SCHEMBL5453400

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
GAA P10253 3/20 0.56
RXFP1 Q9HBX9 1/20 0.56
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
EPHX2 P34913 1/20 0.51
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
CYP2C19 P33261 2/20 0.49
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL5445865 0.89 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1GAATSHR
SCHEMBL5449642 0.86 RAB9A (0.60) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL5446625 0.83 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL5455033 0.83 NPC1 (0.60) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL5456707 0.82 MEN1 (0.51) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL5451777 0.81 ALDH1A1 (0.60) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL14096064 0.76 GAA (0.53) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL14096058 0.75 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL5455082 0.74 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL28945218 0.74 EPHX1 (0.73) RAB9ANPC1ALDH1A1MAPTMEN1

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