SCHEMBL9506207

SCHEMBL9506207

CCCCCCCCCCOc1ccc(NC(=O)Nc2cc(C(=O)NCCSC)ccc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.55
SMPD1 P17405 5/20 0.52
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 3/20 0.47
CNR2 P34972 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL9505568 0.92 ACAT1 (0.60) ACAT1SMPD1MAPTMEN1KMT2A
SCHEMBL9503848 0.92 ACAT1 (0.60) ACAT1SMPD1MAPTMEN1KMT2A
SCHEMBL9361436 0.91 ACAT1 (0.67) ACAT1SMPD1MAPTTP53GAA
SCHEMBL9361238 0.91 ACAT1 (0.67) ACAT1SMPD1MAPTTP53GAA
SCHEMBL9502181 0.91 SMPD1 (0.55) ACAT1SMPD1MAPTMEN1KMT2A
SCHEMBL9361158 0.90 ACAT1 (0.65) ACAT1SMPD1MAPTMEN1KMT2A
SCHEMBL9502105 0.89 ACAT1 (0.57) ACAT1MAPTMEN1KMT2AHTT
SCHEMBL9505446 0.89 ACAT1 (0.57) ACAT1MAPTMEN1KMT2AHTT
SCHEMBL9502255 0.88 ACAT1 (0.72) ACAT1MAPTMEN1KMT2AHTT
SCHEMBL9502212 0.88 ACAT1 (0.72) ACAT1MAPTMEN1KMT2AHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543891-A1 DIPHENYLUREA DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003413-A1 DIPHENYLUREA DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed