SCHEMBL2863439

SCHEMBL2863439

C=CC(=O)Nc1ccccc1C(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TGM2 P21980 1/20 0.49
BTK Q06187 2/20 0.46
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
SMN1; SMN2 Q16637 7/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL946592 0.86 KDM4E (0.66) KDM4EHPGDALDH1A1TGM2BTK
SCHEMBL6377697 0.83 TGM2 (0.52) KDM4EHPGDALDH1A1TGM2BTK
SCHEMBL11197899 0.82 KDM4E (0.55) KDM4EHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL890714 0.81 TGM2 (0.58) KDM4EHPGDALDH1A1TGM2SMN1; SMN2
SCHEMBL29367186 0.81 TGM2 (0.58) KDM4EHPGDALDH1A1TGM2SMN1; SMN2
SCHEMBL31228347 0.80 TGM2 (0.65) KDM4EALDH1A1TGM2BTKPTPN1
SCHEMBL613090 0.80 TGM2 (0.65) KDM4EALDH1A1TGM2BTKPTPN1
SCHEMBL899121 0.79 TGM2 (0.52) KDM4EHPGDALDH1A1TGM2PTPN1
SCHEMBL23249603 0.79 KDM4E (0.47) KDM4EHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL27493862 0.77 CYP2C19 (0.61) KDM4EHPGDALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989146-A1 MOLECULARLY IMPRINTED POLYMER, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR THE SELECTIVE TREATMENT OF POORLY DEGRADABLE AND/OR TOXIC COMPOUNDS IN LIQUIDS Kist-Europe Forschungsgesellschaft Mbh (DE) 2008-11-12 EP claimed
WO-2007096135-A1 MOLECULARLY IMPRINTED POLYMER, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR THE SELECTIVE TREATMENT OF POORLY DEGRADABLE AND/OR TOXIC COMPOUNDS IN LIQUIDS KIST-EUROPE FORSCHUNGSGESELLSCHAFT MBH (DE) 2007-08-30 WO claimed
US-4973554-A COMPLEXING WITH POLYMER OF ACRYLAMIDE AND N-ACRYLOYL-M-AMINO-BENZAMIDINE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1990-11-27 US claimed
WO-2010025853-A1 MOLECULARLY IMPRINTED POLYMER (MIP) CHIP SENSOR, USE THEREOF, AND ANALYTICAL DETECTION METHOD KIST-EUROPE FORSCHUNGSGESELLSCHAFT MBH (DE) 2010-03-11 WO disclosed
US-20100036188-A1 MOLECULARLY IMPRINTED POLYMER, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR THE SELECTIVE TREATMENT OF POORLY DEGRADABLE AND/OR TOXIC COMPOUNDS IN LIQUIDS KIST-EUROPE FORSCHUNGSGESELLSCHAFT MBH (DE) 2010-02-11 US disclosed
EP-1989146-A1 MOLECULARLY IMPRINTED POLYMER, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR THE SELECTIVE TREATMENT OF POORLY DEGRADABLE AND/OR TOXIC COMPOUNDS IN LIQUIDS Kist-Europe Forschungsgesellschaft Mbh (DE) 2008-11-12 EP disclosed
WO-2007096135-A1 MOLECULARLY IMPRINTED POLYMER, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR THE SELECTIVE TREATMENT OF POORLY DEGRADABLE AND/OR TOXIC COMPOUNDS IN LIQUIDS KIST-EUROPE FORSCHUNGSGESELLSCHAFT MBH (DE) 2007-08-30 WO disclosed
US-4973554-A COMPLEXING WITH POLYMER OF ACRYLAMIDE AND N-ACRYLOYL-M-AMINO-BENZAMIDINE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1990-11-27 US disclosed