SCHEMBL8564143

SCHEMBL8564143

O=C(O)C=Cc1ccc(-n2cccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.59
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
TNKS O95271 1/20 0.59
TNKS2 Q9H2K2 1/20 0.59
ESR1 P03372 2/20 0.55
CA12 O43570 2/20 0.55
AKR1B10 O60218 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA3 P07451 2/20 0.55

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
SCHEMBL8564140 1.00 HCAR2 (0.59) HCAR2HDAC3HDAC4HDAC1HDAC2
SCHEMBL10416057 0.81 PRMT1 (0.61) HCAR2HDAC3HDAC4HDAC1HDAC2
SCHEMBL10416055 0.81 PRMT1 (0.61) HCAR2HDAC3HDAC4HDAC1HDAC2
SCHEMBL6646360 0.80 HDAC2 (0.56) HCAR2HDAC3HDAC4HDAC1HDAC2
SCHEMBL6646363 0.80 HDAC2 (0.56) HCAR2HDAC3HDAC4HDAC1HDAC2
SCHEMBL14081549 0.79 HCAR2 (0.81) HCAR2HDAC3HDAC4HDAC1HDAC2
SCHEMBL713717 0.79 HCAR2 (0.81) HCAR2HDAC3HDAC4HDAC1HDAC2
SCHEMBL68395 0.79 HCAR2 (0.81) HCAR2HDAC3HDAC4HDAC1HDAC2
SCHEMBL1238620 0.78 ESR1 (0.67) ESR1KDM4ELMNAALDH1A1MAPT
SCHEMBL1238616 0.78 ESR1 (0.67) ESR1KDM4ELMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 US disclosed