SCHEMBL10666751

SCHEMBL10666751

O=C(O)C(=CNc1cccc(-c2ccncc2)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.54
CNR1 P21554 1/20 0.50
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MGLL Q99685 1/20 0.45
CYP17A1 P05093 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PRKCI P41743 1/20 0.41
KDR P35968 1/20 0.40
POLB P06746 2/20 0.40
GPR142 Q7Z601 2/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNK3 O14649 1/20 0.40
NOTUM Q6P988 1/20 0.40
WNT3A P56704 1/20 0.39
TAAR1 Q96RJ0 1/20 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
SCHEMBL11666481 0.92 DHODH (0.53) DHODHCNR1HDAC3HDAC1HDAC2
SCHEMBL11666477 0.92 DHODH (0.53) DHODHCNR1HDAC3HDAC1HDAC2
SCHEMBL11659158 0.81 DHODH (0.54) DHODHCNR1HDAC3HDAC1HDAC2
SCHEMBL11659163 0.81 DHODH (0.54) DHODHCNR1HDAC3HDAC1HDAC2
SCHEMBL30824201 0.79 MDM2 (0.47) DHODHPOLBSTAT3SMN1; SMN2TAAR1
SCHEMBL11194081 0.78 CNR1 (0.50) DHODHCNR1HDAC3HDAC1HDAC2
SCHEMBL11656612 0.78 DHODH (0.72) DHODHCYP17A1CYP11B1CYP11B2
SCHEMBL11652333 0.78 DHODH (0.50) DHODHCNR1HDAC3HDAC1HDAC2
SCHEMBL11652335 0.78 DHODH (0.50) DHODHCNR1HDAC3HDAC1HDAC2
SCHEMBL11656609 0.78 DHODH (0.72) DHODHCYP17A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4554352-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid ETHYL CORPORATION (US) 1985-11-19 US claimed
US-4552963-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid ETHYL CORPORATION (US) 1985-11-12 US claimed
US-4550167-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid ETHYL CORPORATION (US) 1985-10-29 US claimed
US-4533735-A Process for preparing antibacterial compounds ETHYL CORPORATION (US) 1985-08-06 US claimed
US-4532326-A Decarboxylation process for preparing 4-(3-aminophenyl)pyridines ETHYL CORPORATION (US) 1985-07-30 US claimed
US-4727148-A Certain aromatization process for preparing 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid ETHYL CORPORATION (US) 1988-02-23 US disclosed
US-4649202-A Brominative aromatization of 4-cyclohexenylpyridines ETHYL CORPORATION (US) 1987-03-10 US disclosed
US-4604467-A Certain 4-(3,4-dibromocyclohexyl)pyridines ETHYL CORPORATION (US) 1986-08-05 US disclosed
US-4554352-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid ETHYL CORPORATION (US) 1985-11-19 US disclosed
US-4552963-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid ETHYL CORPORATION (US) 1985-11-12 US disclosed
US-4552964-A 4-(1-Chlorocyclohex-3-enyl)pyridines and preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid ETHYL CORPORATION (US) 1985-11-12 US disclosed
US-4550167-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid ETHYL CORPORATION (US) 1985-10-29 US disclosed
US-4533735-A Process for preparing antibacterial compounds ETHYL CORPORATION (US) 1985-08-06 US disclosed
US-4532326-A Decarboxylation process for preparing 4-(3-aminophenyl)pyridines ETHYL CORPORATION (US) 1985-07-30 US disclosed