SCHEMBL9364693

SCHEMBL9364693

CCOC(=O)C(=O)Nc1cccc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.58
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 1/20 0.56
SETD7 Q8WTS6 1/20 0.55
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MCHR1 Q99705 1/20 0.51
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50

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
SCHEMBL11390592 0.85 GPR35 (0.68) GPR35ALDH1A1L3MBTL1GAASETD7
SCHEMBL11402843 0.85 MAPT (0.63) GPR35ALDH1A1L3MBTL1GAAMAPT
SCHEMBL7025774 0.83 LMNA (0.50) ALDH1A1L3MBTL1SETD7PDCD1CD274
SCHEMBL9365252 0.82 MAPT (0.65) GPR35ALDH1A1L3MBTL1GAAMAPT
SCHEMBL9364688 0.81 KMT2A (0.57) ALDH1A1L3MBTL1GAAMAPTMEN1
SCHEMBL7025772 0.81 DHODH (0.67) L3MBTL1GAAPDCD1CD274MAPT
SCHEMBL11453702 0.81 MAPT (0.58) GPR35ALDH1A1GAAMAPTMEN1
SCHEMBL11813065 0.80 SETD7 (0.52) ALDH1A1L3MBTL1SETD7PDCD1CD274
SCHEMBL7836490 0.80 SETD7 (0.52) ALDH1A1L3MBTL1SETD7PDCD1CD274
SCHEMBL23727313 0.79 MAPT (0.57) ALDH1A1SETD7MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 US disclosed
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 EP disclosed