SCHEMBL6974319

SCHEMBL6974319

O=C(O)C=Cc1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HCAR2 Q8TDS4 2/20 0.42
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
PADI4 Q9UM07 1/20 0.40
NFKB1 P19838 2/20 0.39
CA1 P00915 2/20 0.39

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
SCHEMBL25249689 1.00 KDM4E (0.43) KDM4ELMNAHCAR2HDAC3TNKS
SCHEMBL21055912 0.82 CCNC (0.49) HDAC6PADI4NFKB1JUNP2RX7
SCHEMBL28060895 0.82 P2RX7 (0.42) KDM4EHDAC6PADI4NFKB1JUN
SCHEMBL8523153 0.82 CCNC (0.49) HDAC6PADI4NFKB1JUNP2RX7
SCHEMBL24150077 0.78 CCNC (0.42) PADI4NFKB1JUNP2RX7CCNC
SCHEMBL16264150 0.77 JUN (0.46) KDM4ELMNAHDAC6PADI4NFKB1
SCHEMBL24149768 0.75 APP (0.38) PADI4NFKB1JUNP2RX7CCNC
Maleic Acid SCHEMBL19380195 0.74 P2RX7 (0.50) KDM4ELMNAHCAR2P4HTMP2RX7
Maleic Acid SCHEMBL27555040 0.74 HSP90AA1 (0.65) KDM4ENFKB1JUNPKMP2RX7
Maleic Acid SCHEMBL27555039 0.74 HSP90AA1 (0.65) KDM4ENFKB1JUNPKMP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0630366-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1994-12-28 EP disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
WO-1993008164-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed