SCHEMBL22278690

SCHEMBL22278690

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.47
▸ HTR6 P50406 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL22278490 0.91 RORC (0.47) RORCHTR6HPGDPOLBCYP2C9
SCHEMBL22278511 0.90 HPGD (0.49) RORCHTR6HPGDPOLBCYP2C9
SCHEMBL24061139 0.89 RORC (0.44) RORCHTR6HPGDPOLBCYP2C9
SCHEMBL22278716 0.89 RORC (0.46) RORCHTR6HPGDPOLBCYP2C9
SCHEMBL22278483 0.86 RORC (0.43) RORCHTR6HPGDPOLBCYP2C9
SCHEMBL22278765 0.86 RORC (0.45) RORCHTR6HPGDPOLBCYP2C9
SCHEMBL22278383 0.85 RORC (0.46) RORCHTR6HPGDPOLBCYP2C9
SCHEMBL22278745 0.85 RORC (0.43) RORCHTR6HPGDCYP2C9CYP2C19
SCHEMBL22278556 0.85 RORC (0.46) RORCHTR6HPGDGAASMN1; SMN2
SCHEMBL22278568 0.83 RORC (0.44) RORCHTR6HPGDPOLBCYP2C9

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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