SCHEMBL9703646

SCHEMBL9703646

C=CCNC(=O)c1nc2ccccc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ RAB9A P51151 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 9/20 0.44
▸ ALDH1A1 P00352 8/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPT P10636 5/20 0.44
▸ POLB P06746 3/20 0.44
▸ PLAUR Q03405 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43

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
SCHEMBL9703686 0.90 HPGD (0.49) HPGDHTTL3MBTL1TP53RAB9A
SCHEMBL7106203 0.82 FAAH (0.53) L3MBTL1TP53KDM4EALDH1A1MAPT
SCHEMBL10454736 0.74 TP53 (0.43) HPGDHTTL3MBTL1TP53RAB9A
SCHEMBL880382 0.74 HPGD (0.73) HPGDHTTL3MBTL1RAB9AMEN1
SCHEMBL16589495 0.72 HPGD (0.67) HPGDHTTL3MBTL1TP53RAB9A
SCHEMBL30824255 0.72 HPGD (0.67) HPGDHTTL3MBTL1RAB9AMEN1
SCHEMBL5322245 0.72 HPGD (0.61) HPGDHTTTP53RAB9AMEN1
SCHEMBL7591483 0.71 KDM4E (0.70) HTTRAB9AMEN1NPC1KMT2A
SCHEMBL28449520 0.70 KDM4E (0.64) HPGDHTTL3MBTL1TP53RAB9A
SCHEMBL17817603 0.70 HPGD (1.00) HPGDHTTL3MBTL1RAB9AMEN1

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
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 — — WO disclosed
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