SCHEMBL5458088

SCHEMBL5458088

Cc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
ALDH1A1 P00352 10/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
HTT P42858 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPK1 P28482 2/20 0.62
MAPT P10636 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
LMNA P02545 2/20 0.59
STAT1 P42224 1/20 0.59
THRB P10828 1/20 0.59
ALOX12 P18054 2/20 0.58

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
SCHEMBL12767872 0.86 KMT2A (0.72) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL14096532 0.86 KMT2A (0.72) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL28330757 0.85 SIRT1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL16358841 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL14127097 0.84 EPHX1 (0.78) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL14860311 0.84 EPHX1 (0.78) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL5457898 0.84 ALDH1A1 (0.81) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10192214 0.84 RAB9A (0.81) KMT2AMEN1SMN1; SMN2MAPTTDP1
SCHEMBL3223877 0.84 RAB9A (0.81) KMT2AMEN1SMN1; SMN2MAPTTDP1
SCHEMBL14096413 0.84 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2HTT

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