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SCHEMBL24565182

SCHEMBL24565182

CC(C)c1nc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Br)c[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 19/20 0.59
▸ THRB P10828 19/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C8 P10632 1/20 0.59
▸ UGT1A1 P22309 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ SLCO1B1 Q9Y6L6 1/20 0.43

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
SCHEMBL24565181 0.94 THRA (0.52) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23260061 0.94 THRA (0.67) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL27166007 0.88 THRA (0.48) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24565094 0.84 THRA (0.62) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23022537 0.82 THRA (0.88) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL27166008 0.78 THRA (0.78) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL30046150 0.78 THRA (0.78) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24565092 0.78 THRA (0.54) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23260190 0.78 THRA (0.69) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL28525335 0.77 THRA (0.65) THRATHRBCYP2C9CYP2C8UGT1A1

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-4019510-A1 HALOGEN-SUBSTITUTED PHENYLATE COMPOUND AND APPLICATIONS THEREOF Hinova Pharmaceuticals Inc. (CN) 2022-06-29 — — EP disclosed