SCHEMBL9812600

SCHEMBL9812600

Cc1cc(C(=O)O)c(C(=O)O)[n+]([O-])c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HCAR2 Q8TDS4 1/20 0.38
NOTUM Q6P988 4/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
METAP2 P50579 3/20 0.36
TPMT P51580 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MCL1 Q07820 1/20 0.34
MAPK1 P28482 1/20 0.34
MYC P01106 1/20 0.34
TTR P02766 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8847156 0.78 MEN1 (0.38) KDM4EMEN1KMT2ATPMTALDH1A1
SCHEMBL9812456 0.76 ALDH1A1 (0.41) KDM4EMEN1KMT2AMETAP2ALDH1A1
SCHEMBL8847544 0.69 ALDH1A1 (0.39) CSNK2A1KDM4EMEN1KMT2AALDH1A1
SCHEMBL8847351 0.67 HCAR2 (0.32) HCAR2NOTUMMEN1KMT2AALDH1A1
SCHEMBL3392534 0.66 KDM4E (0.58) CSNK2A1KDM4ENOTUMMEN1KMT2A
SCHEMBL14152686 0.65 HCAR2 (0.43) CSNK2A1KDM4EHCAR2MEN1KMT2A
SCHEMBL7820624 0.64 HCAR2 (0.42) CSNK2A1KDM4EHCAR2NOTUMMEN1
SCHEMBL13914928 0.64 KDM4E (0.56) CSNK2A1KDM4ENOTUMMEN1KMT2A
SCHEMBL5029492 0.64 CSNK2A1 (0.58) CSNK2A1KDM4ENOTUMTPMTALDH1A1
SCHEMBL836705 0.64 LDHA (0.39) HCAR2NOTUMMEN1KMT2AMETAP2

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-0259687-B1 METHOD FOR THE PREPARATION OF PYRIDINE-2,3-DICARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP claimed
US-4816588-A OXIDATION OF 8-SUBSTITUTED QUINOLINES AMERICAN CYANAMID COMPANY (US) 1989-03-28 US claimed
EP-0259687-A2 Method for the preparation of pyridine-2,3-dicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1988-03-16 EP claimed