SCHEMBL9505446

SCHEMBL9505446

CCCCCCCCCOc1ccc(NC(=O)Nc2cc(C(=O)NCCSC)ccc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.57
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PLK1 P53350 3/20 0.44
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MCHR1 Q99705 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9502105 1.00 ACAT1 (0.57) ACAT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9502491 0.91 ACAT1 (0.62) ACAT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9502984 0.91 ACAT1 (0.62) ACAT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9362414 0.91 ACAT1 (0.69) ACAT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9502100 0.90 ACAT1 (0.72) ACAT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9502212 0.90 ACAT1 (0.72) ACAT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9502255 0.90 ACAT1 (0.72) ACAT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9506207 0.89 ACAT1 (0.55) ACAT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9502933 0.83 ACAT1 (0.82) ACAT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9361233 0.82 ACAT1 (0.58) ACAT1MAPTKMT2ASMN1; SMN2MAPK1

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