SCHEMBL9502255

SCHEMBL9502255

CCCCCCCCCOc1ccc(NC(=O)Nc2cc(C(=O)NCCSC)ccc2SC)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.72
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PLK1 P53350 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA7 P43166 1/20 0.42
CA12 O43570 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
FAAH O00519 4/20 0.41

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
SCHEMBL9502100 1.00 ACAT1 (0.72) ACAT1MEN1NPC1MAPTRAB9A
SCHEMBL9502212 1.00 ACAT1 (0.72) ACAT1MEN1NPC1MAPTRAB9A
SCHEMBL9502933 0.94 ACAT1 (0.82) ACAT1MEN1NPC1MAPTRAB9A
SCHEMBL9365133 0.91 ACAT1 (0.87) ACAT1MEN1NPC1MAPTRAB9A
SCHEMBL9361227 0.91 ACAT1 (0.87) ACAT1MEN1NPC1MAPTRAB9A
SCHEMBL9365200 0.91 ACAT1 (0.87) ACAT1MEN1NPC1MAPTRAB9A
SCHEMBL9502105 0.90 ACAT1 (0.57) ACAT1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9505446 0.90 ACAT1 (0.57) ACAT1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9362496 0.90 ACAT1 (0.85) ACAT1MEN1NPC1MAPTRAB9A
SCHEMBL9506207 0.88 ACAT1 (0.55) ACAT1MEN1MAPTRAB9AKMT2A

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