SCHEMBL24061139

SCHEMBL24061139

CC(CCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Br)ccc21)OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 18/20 0.44
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL22278486 0.91 RORC (0.43) RORC
SCHEMBL22278745 0.90 RORC (0.43) RORCCYP2C9HPGDCYP2C19HTR6
SCHEMBL22278690 0.89 RORC (0.47) RORCPOLBCYP2C9HPGDCYP2C19
SCHEMBL22278483 0.88 RORC (0.43) RORCPOLBCYP2C9HPGDCYP2C19
SCHEMBL22278706 0.88 RORC (0.41) RORCHPGDHTR6
SCHEMBL22278490 0.87 RORC (0.47) RORCPOLBCYP2C9HPGDCYP2C19
SCHEMBL22278511 0.86 HPGD (0.49) RORCPOLBCYP2C9HPGDCYP2C19
SCHEMBL22278760 0.86 RORC (0.42) RORC
SCHEMBL22278716 0.85 RORC (0.46) RORCPOLBCYP2C9HPGDCYP2C19
SCHEMBL22278765 0.82 RORC (0.45) RORCPOLBCYP2C9HPGDCYP2C19

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-3915977-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2021-12-01 — — EP disclosed
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