SCHEMBL22278490

SCHEMBL22278490

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 6/20 0.47
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ KDM2B Q8NHM5 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ CACNA1B Q00975 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 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
SCHEMBL22278511 0.93 HPGD (0.49) RORCHPGDGAASMN1; SMN2HTR6
SCHEMBL22278716 0.93 RORC (0.46) RORCHPGDGAASMN1; SMN2HTR6
SCHEMBL22278690 0.91 RORC (0.47) RORCHPGDGAASMN1; SMN2HTR6
SCHEMBL22278765 0.89 RORC (0.45) RORCHPGDGAASMN1; SMN2HTR6
SCHEMBL22278745 0.88 RORC (0.43) RORCHPGDGAASMN1; SMN2HTR6
SCHEMBL22278556 0.88 RORC (0.46) RORCHPGDGAASMN1; SMN2HTR6
SCHEMBL22278483 0.88 RORC (0.43) RORCHPGDGAASMN1; SMN2HTR6
SCHEMBL24061139 0.87 RORC (0.44) RORCHPGDHTR6POLBCYP2C9
SCHEMBL22278383 0.87 RORC (0.46) RORCHPGDHTR6KDM2BL3MBTL1
SCHEMBL22278612 0.86 RORC (0.44) RORCSMN1; SMN2HTR6KDM2BL3MBTL1

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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