SCHEMBL8011682

SCHEMBL8011682

CCOC(=O)Nc1ccc(N2N=C(C)/C(=C\Nc3ccccc3OC)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
AMY1A P0DUB6 1/20 0.46
KMT2A Q03164 7/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 5/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MTNR1B P49286 1/20 0.41
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
PKM P14618 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
SCHEMBL8011684 1.00 GAA (0.47) GAATSHRAMY1AKMT2AL3MBTL1
SCHEMBL8425490 0.95 GAA (0.43) GAATSHRAMY1AKMT2AL3MBTL1
SCHEMBL8425491 0.95 GAA (0.43) GAATSHRAMY1AKMT2AL3MBTL1
SCHEMBL8425493 0.85 GAA (0.46) GAAAMY1AKMT2AL3MBTL1NPSR1
SCHEMBL8011329 0.84 GAA (0.65) GAAAMY1AKMT2AL3MBTL1NPSR1
SCHEMBL6945888 0.84 GAA (0.65) GAAAMY1AKMT2AL3MBTL1NPSR1
SCHEMBL8008711 0.83 KAT8 (0.59) GAAAMY1AKMT2AL3MBTL1MEN1
SCHEMBL6947870 0.83 KAT8 (0.59) GAAAMY1AKMT2AL3MBTL1MEN1
SCHEMBL6949903 0.83 ALDH1A1 (0.46) GAATSHRKMT2AL3MBTL1NPSR1
SCHEMBL9023690 0.83 ALDH1A1 (0.46) GAATSHRKMT2AL3MBTL1NPSR1

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
US-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US disclosed