SCHEMBL22278612

SCHEMBL22278612

COCCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.44
▸ KDM2B Q8NHM5 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 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
SCHEMBL22278556 0.89 RORC (0.46) RORCKDM2BL3MBTL1CYP11B1CYP11B2
SCHEMBL22278560 0.86 RORC (0.44) RORCKDM2BL3MBTL1CYP11B1CYP11B2
SCHEMBL22278511 0.86 HPGD (0.49) RORCKDM2BL3MBTL1CYP11B1CYP11B2
SCHEMBL22278490 0.86 RORC (0.47) RORCKDM2BL3MBTL1CYP11B1CYP11B2
SCHEMBL22278383 0.86 RORC (0.46) RORCKDM2BL3MBTL1CYP11B1CYP11B2
SCHEMBL22278716 0.86 RORC (0.46) RORCKDM2BL3MBTL1CYP11B1CYP11B2
SCHEMBL22278745 0.84 RORC (0.43) RORCKDM2BL3MBTL1CYP11B1CYP11B2
SCHEMBL30660967 0.84 L3MBTL1 (0.49) RORCKDM2BL3MBTL1CYP11B1CYP11B2
SCHEMBL22278404 0.84 L3MBTL1 (0.49) RORCKDM2BL3MBTL1CYP11B1CYP11B2
SCHEMBL22278765 0.83 RORC (0.45) RORCKDM2BL3MBTL1CYP11B1CYP11B2

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
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