SCHEMBL5476512

SCHEMBL5476512

CCCc1c(C(N)=O)cccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.59
PPARG P37231 1/20 0.44
HNF4A P41235 1/20 0.44
LTB4R2 Q9NPC1 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTB4R Q15722 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SYK P43405 1/20 0.41
FOLH1 Q04609 1/20 0.41
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5482646 0.88 PPARG (0.45) BCAT2PPARGLTB4R2SMN1; SMN2NPC1
SCHEMBL28149292 0.88 BCAT2 (0.50) BCAT2PPARGLTB4R2MEN1KMT2A
SCHEMBL4439618 0.87 BCAT2 (0.62) BCAT2HNF4ALTB4R2MEN1KMT2A
SCHEMBL17558558 0.84 BCAT2 (0.42) BCAT2HNF4ALTB4R2MEN1KMT2A
SCHEMBL370726 0.83 MYC (0.45) BCAT2PPARGMEN1KMT2AKEAP1
SCHEMBL2964481 0.83 PARP1 (0.45) BCAT2MEN1KMT2AKEAP1NFE2L2
SCHEMBL27787423 0.82 BCAT2 (0.65) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL5478290 0.82 PARP1 (0.45) BCAT2PPARGMEN1KMT2AKEAP1
SCHEMBL16463457 0.81 PARP1 (0.40) BCAT2PPARGMEN1KMT2ASYK
SCHEMBL5478916 0.81 MEN1 (0.44) BCAT2PPARGMEN1KMT2ASMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148974-B1 CYCLOPROPYLAMINE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2018-09-26 EP disclosed
EP-3148974-A1 CYCLOPROPYLAMINE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS Istituto Europeo di Oncologia S.r.l. (IT) 2017-04-05 EP disclosed
WO-2015181380-A1 CYCLOPROPYLAMINE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2015-12-03 WO disclosed
EP-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 EP disclosed
EP-1644397-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2006-04-12 EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 WO disclosed
WO-2005005452-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed
CN-1098255-C Novel substituted piperazine derivatives having tachyknin receptor antagonists activity AVENTIS PHARMA INC (US) 2003-01-08 CN disclosed
CN-1083429-C Substituted alkyldiamine derivatives and their use as tachykinin antagonists MERRELL PHARMA INC (US) 2002-04-24 CN disclosed
CN-1181753-A Novel substituted piperazine derivatives having tachyknin receptor antagonists activity HOECHST MARION ROUSSEL INC (US) 1998-05-13 CN disclosed
CN-1155883-A Substituted alkyldiamine derivatives and their use as tachykinin antagonists MERRELL PHARMA INC (US) 1997-07-30 CN disclosed