SCHEMBL28692474

SCHEMBL28692474

COC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCN2S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MMP1 P03956 4/20 0.49
▸ MMP3 P08254 4/20 0.49
▸ MMP9 P14780 4/20 0.49
▸ MMP2 P08253 3/20 0.49
▸ MMP8 P22894 3/20 0.49
▸ MMP7 P09237 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ PKM P14618 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46

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
SCHEMBL29482632 1.00 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL28703410 0.91 CYP2C9 (0.58) MAPTSMN1; SMN2LMNACYP2C9ALDH1A1
SCHEMBL29482652 0.88 LMNA (0.57) MAPTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL28711508 0.88 LMNA (0.57) MAPTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL28711520 0.84 LMNA (0.52) MAPTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL29482633 0.84 LMNA (0.52) MAPTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL28712877 0.83 LMNA (0.51) MAPTMEN1KMT2AMMP1MMP3
SCHEMBL29482649 0.83 LMNA (0.51) MAPTMEN1KMT2AMMP1MMP3
SCHEMBL28702258 0.81 LMNA (0.47) MAPTMEN1KMT2AMMP1MMP3
SCHEMBL29482646 0.81 LMNA (0.47) MAPTMEN1KMT2AMMP1MMP3

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-114230529-A Tetrahydroquinoxaline sulfonamide derivative and preparation method and application thereof 河南大学 2022-03-25 — — CN disclosed
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