SCHEMBL25514725

SCHEMBL25514725

COC(=O)c1nn(-c2ccc(Cl)nc2)cc1CNCc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ABCB1 P08183 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL25190083 0.93 NPC1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL25189566 0.92 MEN1 (0.42) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL31018426 0.85 MEN1 (0.41) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL31018420 0.82 HDAC3 (0.39) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL2188685 0.80 NPC1 (0.57) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL30449430 0.80 CCNE1 (0.37) ALDH1A1KDM4EMAPTMAPK1NPC1
SCHEMBL25188638 0.80 CCNE1 (0.37) ALDH1A1KDM4EMAPTMAPK1NPC1
SCHEMBL2189559 0.80 ABCB1 (0.48) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL25196097 0.78 KDM4E (0.39) ALDH1A1KDM4EMAPTMAPK1NPSR1
SCHEMBL25193201 0.77 KDM4E (0.39) HDAC3HDAC1HDAC2HDAC8ALDH1A1

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
WO-2023083998-A1 DIHYDROPYRROLO[3,4C]-PYRAZOLE DERIVATIVES AND THEIR USE IN DIAGNOSIS AC IMMUNE SA (CH) 2023-05-19 WO disclosed