SCHEMBL22278383

SCHEMBL22278383

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.46
▸ HTR6 P50406 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NR1I2 O75469 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ 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
SCHEMBL22278556 0.88 RORC (0.46) RORCHTR6KDM2BL3MBTL1CYP11B1
SCHEMBL22278490 0.87 RORC (0.47) RORCHTR6KDM2BL3MBTL1CYP11B1
SCHEMBL22278560 0.86 RORC (0.44) RORCHTR6KDM2BL3MBTL1CYP11B1
SCHEMBL22278612 0.86 RORC (0.44) RORCHTR6LMNAKDM2BL3MBTL1
SCHEMBL22278511 0.86 HPGD (0.49) RORCHTR6KDM2BL3MBTL1CYP11B1
SCHEMBL22278690 0.85 RORC (0.47) RORCHTR6LMNAKDM2BL3MBTL1
SCHEMBL22278716 0.85 RORC (0.46) RORCHTR6KDM2BL3MBTL1CYP11B1
SCHEMBL22278568 0.85 RORC (0.44) RORCHTR6LMNAKDM2BL3MBTL1
SCHEMBL22278404 0.83 L3MBTL1 (0.49) RORCHTR6LMNAKDM2BL3MBTL1
SCHEMBL30660967 0.83 L3MBTL1 (0.49) RORCHTR6LMNAKDM2BL3MBTL1

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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