SCHEMBL22278745

SCHEMBL22278745

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.43
▸ KDM2B Q8NHM5 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 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
SCHEMBL22278706 0.91 RORC (0.41) RORCKDM2BGAAHPGDL3MBTL1
SCHEMBL24061139 0.90 RORC (0.44) RORCHPGDCYP2C9CYP2C19HTR6
SCHEMBL22278511 0.89 HPGD (0.49) RORCKDM2BGAAHPGDL3MBTL1
SCHEMBL22278490 0.88 RORC (0.47) RORCKDM2BGAAHPGDL3MBTL1
SCHEMBL22278716 0.88 RORC (0.46) RORCKDM2BGAAHPGDL3MBTL1
SCHEMBL22278483 0.87 RORC (0.43) RORCGAAHPGDCYP2C9CYP2C19
SCHEMBL22278486 0.87 RORC (0.43) RORC
SCHEMBL22278556 0.86 RORC (0.46) RORCKDM2BGAAHPGDL3MBTL1
SCHEMBL22278760 0.86 RORC (0.42) RORC
SCHEMBL22278765 0.85 RORC (0.45) RORCKDM2BGAAHPGDL3MBTL1

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-2020151232-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2020-07-30 — — WO disclosed
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