SCHEMBL2302103

SCHEMBL2302103

COc1ccc(C(C(C)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
CNR2 P34972 1/20 0.54
BRD4 O60885 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
UTS2R Q9UKP6 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
MAOB P27338 2/20 0.46
PTGS2 P35354 2/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 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
SCHEMBL9391336 0.91 CES2 (0.50) CNR2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL10882007 0.87 BRD4 (0.63) BRD4MEN1KMT2ATDP1HDAC4
SCHEMBL7973591 0.86 HPGD (0.58) HPGDCNR2MEN1KMT2AUTS2R
SCHEMBL6755554 0.84 ACP3 (0.59) CNR2MEN1KMT2AGAARAB9A
SCHEMBL3693512 0.81 BRD4 (0.54) HPGDCNR2BRD4MEN1KMT2A
Acetic Acid SCHEMBL9138173 0.81 HPGD (0.70) HPGDCNR2MEN1KMT2AMAOB
SCHEMBL28419252 0.79 BRD4 (0.55) CNR2BRD4MEN1KMT2ATDP1
SCHEMBL11431074 0.79 HPGD (0.58) HPGDCNR2MEN1KMT2AUTS2R
SCHEMBL2302536 0.78 BRD4 (0.53) BRD4RAB9AHDAC4HDAC7HDAC5
SCHEMBL16807279 0.78 HPGD (0.57) HPGDCNR2MEN1KMT2ATDP1

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-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed