SCHEMBL22278568

SCHEMBL22278568

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ KDM2B Q8NHM5 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ CPT2 P23786 3/20 0.39
▸ CPT1A P50416 3/20 0.39
▸ CPT1B Q92523 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL22278739 0.92 HTR6 (0.42) RORCHTR6KDM2BHPGDCYP2C9
SCHEMBL24061204 0.85 RORC (0.43) RORCHTR6
SCHEMBL22278383 0.85 RORC (0.46) RORCHTR6KDM2BHPGDPOLB
SCHEMBL22278556 0.84 RORC (0.46) RORCHTR6KDM2BHPGDGAA
SCHEMBL22278690 0.83 RORC (0.47) RORCHTR6KDM2BHPGDPOLB
SCHEMBL22278490 0.83 RORC (0.47) RORCHTR6KDM2BHPGDPOLB
SCHEMBL24061050 0.82 RORC (0.58) RORCHTR6LMNA
SCHEMBL22278612 0.82 RORC (0.44) RORCHTR6KDM2BCYP2C9CYP2C19
SCHEMBL22278560 0.82 RORC (0.44) RORCHTR6KDM2BCYP11B1CYP11B2
SCHEMBL22278511 0.82 HPGD (0.49) RORCHTR6KDM2BHPGDPOLB

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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