SCHEMBL22278706

SCHEMBL22278706

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.41
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22278745 0.91 RORC (0.43) RORCGAAHPGDKDM2BL3MBTL1
SCHEMBL24061139 0.88 RORC (0.44) RORCHPGDHTR6
SCHEMBL22278511 0.87 HPGD (0.49) RORCGAAHPGDKDM2BL3MBTL1
SCHEMBL22278490 0.86 RORC (0.47) RORCGAAHPGDKDM2BL3MBTL1
SCHEMBL22278716 0.86 RORC (0.46) RORCGAAHPGDKDM2BL3MBTL1
SCHEMBL22278483 0.85 RORC (0.43) RORCGAAHPGDHTR6SMN1; SMN2
SCHEMBL22278486 0.85 RORC (0.43) RORC
SCHEMBL22278765 0.83 RORC (0.45) RORCGAAHPGDKDM2BL3MBTL1
SCHEMBL22278690 0.83 RORC (0.47) RORCGAAHPGDKDM2BL3MBTL1
SCHEMBL22278556 0.82 RORC (0.46) RORCGAAHPGDKDM2BL3MBTL1

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 2 patents. 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
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
Send feedback