SCHEMBL30660967

SCHEMBL30660967

CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ RORC P51449 5/20 0.47
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ KDM2B Q8NHM5 2/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ PKM P14618 1/20 0.42
▸ PKLR P30613 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL22278404 1.00 L3MBTL1 (0.49) L3MBTL1RORCCYP11B1CYP11B2HTT
SCHEMBL22278556 0.86 RORC (0.46) L3MBTL1RORCCYP11B1CYP11B2HTT
SCHEMBL22278612 0.84 RORC (0.44) L3MBTL1RORCCYP11B1CYP11B2HTT
SCHEMBL22278560 0.84 RORC (0.44) L3MBTL1RORCCYP11B1CYP11B2HTT
SCHEMBL22278511 0.84 HPGD (0.49) L3MBTL1RORCCYP11B1CYP11B2HTT
SCHEMBL22278716 0.83 RORC (0.46) L3MBTL1RORCCYP11B1CYP11B2HTT
SCHEMBL22278383 0.83 RORC (0.46) L3MBTL1RORCCYP11B1CYP11B2HTT
SCHEMBL22278490 0.83 RORC (0.47) L3MBTL1RORCCYP11B1CYP11B2HTT
SCHEMBL22278544 0.81 RORC (0.44) RORC
SCHEMBL30660951 0.81 RORC (0.44) RORC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112839931-B 1,2,3, 4-tetrahydroquinoxaline derivative, and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-12-01 — — CN disclosed
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