SCHEMBL11021941

SCHEMBL11021941

CSCOc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.47
▸ FFAR1 O14842 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ MAOB P27338 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
SCHEMBL13570664 0.85 TBXAS1 (0.50) TBXAS1FFAR1SMN1; SMN2NR1H4HTR2C
SCHEMBL28027156 0.81 TBXAS1 (0.49) TBXAS1FFAR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL1821556 0.81 GABRG2 (0.54) TBXAS1FFAR1SMN1; SMN2GABRG2GABRB3
SCHEMBL15212297 0.79 MAOB (0.50) MAOB
SCHEMBL6490663 0.79 TBXAS1 (0.47) TBXAS1FFAR1SMN1; SMN2NR1H4GABRG2
SCHEMBL2536496 0.79 KMT2A (0.54) TBXAS1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6188582 0.78 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL14997657 0.78 TBXAS1 (0.49) TBXAS1FFAR1SMN1; SMN2NR1H4SLC6A2
SCHEMBL535547 0.78 TBXAS1 (0.49) TBXAS1FFAR1SMN1; SMN2NR1H4GABRG2
SCHEMBL11259709 0.78 FFAR1 (0.52) TBXAS1FFAR1SMN1; SMN2NR1H4GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160573-A2 Pyrimidinone derivatives NYCOMED AS (NO) 1985-11-06 — — EP disclosed
Send feedback