SCHEMBL24046995

SCHEMBL24046995

N#Cc1ccc(-c2cc(=O)c3cc(Cl)cc(-c4cncc(Cl)c4)c3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.47
▸ CYP1B1 Q16678 9/20 0.40
▸ CYP1A2 P05177 8/20 0.40
▸ CYP1A1 P04798 8/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CCNB1 P14635 3/20 0.40
▸ AR P10275 2/20 0.40
▸ CSNK2A2 P19784 2/20 0.38
▸ CSNK2B P67870 2/20 0.38
▸ CSNK2A1 P68400 2/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ MAP2 P11137 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37

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
SCHEMBL24046989 0.85 TNKS (0.51) TNKSCYP1B1CYP1A2CYP1A1AR
SCHEMBL24046996 0.83 CYP1B1 (0.49) TNKSCYP1B1CYP1A2CYP1A1CDK1
SCHEMBL31632272 0.72 TNKS (0.53) TNKSCYP1B1CYP1A2CYP1A1AR
SCHEMBL24046903 0.70 GABRP (0.52) TNKSCYP1B1CYP1A2CYP1A1CSNK2A2
SCHEMBL4324696 0.69 CYP3A4 (0.50) CYP11B1CYP11B2
SCHEMBL24046894 0.69 TNKS (0.56) TNKSCYP1B1CYP1A2ARCSNK2A2
SCHEMBL24046901 0.67 CSNK2A2 (0.45) TNKSCYP1B1CYP1A2CYP1A1AR
SCHEMBL4649989 0.67 CSNK2A2 (0.62) TNKSCYP1B1CYP1A2CYP1A1CDK1
SCHEMBL21801263 0.67 CSNK2A2 (0.52) TNKSCYP1B1CYP1A2CYP1A1AR
SCHEMBL31632287 0.67 TNKS (0.53) TNKSCYP1B1CYP1A2CYP1A1AR

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
WO-2021236578-A1 CHROMEN-4-ONE DERIVATIVES, SUCH AS E.G. FLAVONES, FOR USE AS CK2 INHIBITORS FOR THE TREATMENT OF NEUROINFLAMMATION SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-11-25 — — WO disclosed
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