SCHEMBL9502027

SCHEMBL9502027

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.62
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 3/20 0.54
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CASP1 P29466 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
FAAH O00519 6/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL9502352 0.89 ACAT1 (0.77) ACAT1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL9502933 0.87 ACAT1 (0.82) ACAT1MEN1KMT2ANPC1RAB9A
SCHEMBL9503027 0.85 MEN1 (0.58) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9502100 0.85 ACAT1 (0.72) ACAT1MEN1KMT2ANPC1RAB9A
SCHEMBL9502212 0.85 ACAT1 (0.72) ACAT1MEN1KMT2ANPC1RAB9A
SCHEMBL9502255 0.85 ACAT1 (0.72) ACAT1MEN1KMT2ANPC1RAB9A
SCHEMBL9503247 0.81 ACAT1 (0.76) ACAT1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL9502459 0.81 ACAT1 (0.72) ACAT1KMT2AMAPTKDM4ETP53
SCHEMBL9502479 0.80 ACAT1 (0.80) ACAT1TP53TSHRPLK1
SCHEMBL9505689 0.79 ACAT1 (0.68) ACAT1MEN1KMT2ANPC1RAB9A

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