SCHEMBL12324691

SCHEMBL12324691

O=c1cc(CF)oc2c(Cl)cc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ AHR P35869 5/20 0.45
▸ CSNK2A2 P19784 5/20 0.42
▸ CSNK2B P67870 5/20 0.42
▸ CSNK2A1 P68400 5/20 0.42
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ CSNK2A3 Q8NEV1 1/20 0.35
▸ GPR35 Q9HC97 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL12325495 0.79 LOXL2 (0.47) SIRT2AHRSSTR2SSTR4HPGD
SCHEMBL21959063 0.74 CSNK2A2 (0.48) SIRT2AHRCSNK2A2CSNK2BCSNK2A1
SCHEMBL12324681 0.73 ADCY1 (0.55) AHRHPGDHSD17B10
SCHEMBL8815638 0.70 AHR (0.57) AHRCSNK2A2CSNK2BCSNK2A1PTPN1
SCHEMBL5563631 0.70 ALDH1A1 (0.58) CSNK2A2CSNK2BCSNK2A1CSNK2A3GPR35
SCHEMBL12325508 0.70 CYP11B1 (0.47) AHRCA1CA2
SCHEMBL12324689 0.70 LOXL2 (0.32) SIRT2
SCHEMBL4649989 0.69 CSNK2A2 (0.62) CSNK2A2CSNK2BCSNK2A1CDK1CCNB1
SCHEMBL10473986 0.69 AHR (0.68) AHRCSNK2A2CSNK2BCSNK2A1PTPN1
SCHEMBL12325501 0.68 CSNK2A2 (0.44) CSNK2A2CSNK2BCSNK2A1PTPN1HPGD

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
EP-2368895-A1 Ferrocenyl flavonoids Centre National de la Recherche Scientifique (CNRS) (FR) 2011-09-28 — — EP disclosed
Send feedback