SCHEMBL9380353

SCHEMBL9380353

Cc1ccc(I)c(C(=O)O)c1.[KH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.59
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 3/20 0.44
NOTUM Q6P988 2/20 0.44
MCL1 Q07820 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
METAP2 P50579 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
MAOB P27338 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL1421936 0.98 CSNK2A1 (0.61) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL31695396 0.98 CSNK2A1 (0.61) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL11341497 0.81 CSNK2A1 (0.45) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL9741686 0.81 CSNK2A1 (0.55) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL8123981 0.79 CSNK2A1 (0.44) CSNK2A1MEN1KMT2AGFERPPARG
SCHEMBL4174657 0.79 PARP1 (0.44) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL31627797 0.78 CSNK2A1 (0.68) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL467550 0.78 CSNK2A1 (0.68) CSNK2A1MEN1KMT2AGFERALDH1A1
Potassium Ion SCHEMBL9380348 0.78 CSNK2A1 (0.42) CSNK2A1MEN1KMT2AGFERALDH1A1
SCHEMBL31506855 0.76 CYP46A1 (0.53) CSNK2A1ALDH1A1KDM4ECA12CA1

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-0278176-B1 Compounds having antitumour and antibacterial properties WARNER LAMBERT CO (US) 1994-03-09 EP disclosed
US-5281620-A Alkyl substituted xanthenone-4-acetic acid CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-01-25 US disclosed
EP-0278176-A2 Compounds having antitumour and antibacterial properties WARNER-LAMBERT COMPANY (US) 1988-08-17 EP disclosed