SCHEMBL29519544

SCHEMBL29519544

CCOC(=O)c1cc(Cl)c2nc(N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 1/20 0.50
▸ THRB P10828 2/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 4/20 0.42
▸ POLB P06746 2/20 0.42

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
SCHEMBL28599298 1.00 PCSK9 (0.50) PCSK9THRBKMT2ALMNAMAPT
SCHEMBL28603507 0.92 THRB (0.53) PCSK9THRBKMT2ALMNAMAPT
SCHEMBL28917875 0.82 THRB (0.49) PCSK9THRBKMT2ALMNAMAPT
SCHEMBL28919046 0.78 P2RY12 (0.56) THRBLMNAMAPTALDH1A1TP53
SCHEMBL28919024 0.77 POLB (0.49) THRBKMT2ALMNAMAPTALDH1A1
SCHEMBL28919053 0.76 MAPT (0.61) THRBKMT2ALMNAMAPTALDH1A1
SCHEMBL28590359 0.74 KMT2A (0.49) KMT2ALMNAMAPTTP53POLB
SCHEMBL28919043 0.73 ALDH1A1 (0.52) THRBLMNAMAPTALDH1A1TP53
SCHEMBL29043227 0.71 PIK3CD (0.52) KMT2ALMNAMAPTALDH1A1POLB
SCHEMBL29043232 0.71 NR1H4 (0.46) KMT2ALMNAMAPTTP53POLB

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-113121467-B Benzothiazole derivative and medical application thereof 河北师范大学 2022-03-29 — — CN disclosed
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