SCHEMBL7105280

SCHEMBL7105280

NS(=O)(=O)CCCCCCC1CNCC(Cc2ccc(-c3ccc(Cl)cc3)cc2)N1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 12/20 0.34
▸ CHIA Q9BZP6 12/20 0.34
▸ CMA1 P23946 1/20 0.32
▸ MLNR O43193 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL7771962 0.76 CA1 (0.39) CHIT1CHIAMLNR
SCHEMBL7775649 0.76 CA1 (0.38) CHIT1CHIAMLNR
SCHEMBL8073886 0.73 GBA1 (0.35) CHIT1CHIAKCNH2
SCHEMBL7102752 0.65 KDM2B (0.37) —
SCHEMBL8573952 0.64 CHIT1 (0.35) CHIT1CHIAMLNR
SCHEMBL8571349 0.63 CHIT1 (0.34) CHIT1CHIAMLNR
SCHEMBL26689620 0.63 IGF1R (0.49) KCNH2
SCHEMBL5695790 0.59 TDP1 (0.45) CHIT1CHIA
SCHEMBL5695787 0.59 CHIT1 (0.41) CHIT1CHIAMLNR
SCHEMBL5695792 0.57 TDP1 (0.47) CHIT1CHIA

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
EP-1020443-B1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF AZWELL INC (JP) 2003-09-10 — — EP disclosed
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