SCHEMBL5585151

SCHEMBL5585151

O=C(O)C=Cc1ncncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
TSHR P16473 4/20 0.42
CYP3A4 P08684 2/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HCAR2 Q8TDS4 5/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
P4HTM Q9NXG6 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
SCHEMBL1368017 0.79 HCAR2 (0.48) KDM4ETSHRCYP3A4BLMNPSR1
SCHEMBL1368018 0.79 HCAR2 (0.48) KDM4ETSHRCYP3A4BLMNPSR1
SCHEMBL16633836 0.74 EIF2AK2 (0.44) KDM4ETSHRCYP3A4BLMNPSR1
SCHEMBL16633834 0.74 EIF2AK2 (0.44) KDM4ETSHRCYP3A4BLMNPSR1
Maleic Acid SCHEMBL28269723 0.73 HSP90AA1 (0.59) KDM4ETSHRCYP3A4BLMNPSR1
SCHEMBL25249689 0.72 KDM4E (0.43) KDM4ETSHRCYP3A4BLMNPSR1
SCHEMBL6974319 0.72 KDM4E (0.43) KDM4ETSHRCYP3A4BLMNPSR1
SCHEMBL4641652 0.72 TSHR (0.44) KDM4ETSHRCYP3A4BLMNPSR1
Maleic Acid SCHEMBL10917578 0.72 TSHR (0.60) KDM4ETSHRCYP3A4BLMNPSR1
SCHEMBL11828317 0.71 HCAR2 (0.52) KDM4ETSHRCYP3A4HCAR2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004902-A1 Triazine Containing Polymers FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2007-01-04 US disclosed
EP-1726607-A2 Triazine containing polymers Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2006-11-29 EP disclosed
US-4533727-A CYCLIEIED CYANATE TRIMER AS PREPOLYMER UNIT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-08-06 US disclosed