SCHEMBL11259709

SCHEMBL11259709

N#CCOc1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
TBXAS1 P24557 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
ENPP2 Q13822 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 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
SCHEMBL14997657 0.89 TBXAS1 (0.49) FFAR1TBXAS1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL509575 0.86 FFAR1 (0.48) FFAR1SMN1; SMN2MAOB
SCHEMBL25012615 0.85 FFAR1 (0.50) FFAR1TBXAS1SMN1; SMN2MAOAMAOB
SCHEMBL31725708 0.85 MAOB (0.49) FFAR1TBXAS1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL5981836 0.85 MAOB (0.49) FFAR1TBXAS1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL30924196 0.85 FFAR1 (0.50) FFAR1TBXAS1SMN1; SMN2MAOAMAOB
SCHEMBL10618535 0.85 TBXAS1 (0.47) FFAR1TBXAS1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL13684905 0.83 TBXAS1 (0.55) FFAR1TBXAS1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL14997655 0.82 TBXAS1 (0.45) FFAR1TBXAS1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL10575360 0.81 EGLN1 (0.46) FFAR1TBXAS1SMN1; SMN2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-4343808-A Method of inhibiting sickling of sickle erythrocytes THE DOW CHEMICAL COMPANY (US) 1982-08-10 US disclosed