SCHEMBL8016146

SCHEMBL8016146

Nc1ccc2cnc(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
KDM4E B2RXH2 8/20 0.52
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
PKM P14618 4/20 0.52
HTT P42858 2/20 0.52
MAPKAPK2 P49137 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
PARP1 P09874 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 4/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HIF1A Q16665 2/20 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
SCHEMBL242258 0.85 MEN1 (0.52) MAPTKDM4EMEN1KMT2APKM
SCHEMBL8622233 0.78 DAO (0.50) KDM4ETYMS
SCHEMBL30774289 0.78 DAO (0.50) KDM4ETYMS
SCHEMBL27885715 0.78 METAP2 (0.52) RPS6KA3CSNK2A1ALDH1A1ROCK1TYMS
SCHEMBL30774337 0.78 DAO (0.50) MAPTKDM4EMEN1KMT2ARXFP1
SCHEMBL1785835 0.78 CA2 (0.45) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL2619123 0.78 DAO (0.50) MAPTKDM4EMEN1KMT2ARXFP1
SCHEMBL2507129 0.78 NOS1 (0.52) KDM4EMEN1KMT2APARP1ALDH1A1
SCHEMBL7221539 0.77 CHEK1 (0.48) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL25327113 0.75 CYP2A6 (0.47) KDM4EALDH1A1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
US-4400507-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1983-08-23 US disclosed
US-4262120-A YELLOW TO ORANGE SHADES OF GOOD FASTNESS CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed
US-4012371-A Benzinaldazolyl-, quinolonyl-, or phenmorpholonylazo-3-cyano-4-methyl-1,2-[1',2']-benz-[4',5']-imidazolo-6-hydroxypyridine colorants CIBA-GEIGY CORPORATION (US) 1977-03-15 US disclosed