SCHEMBL14065196

SCHEMBL14065196

C[n+]1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C3(C)CCOCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 17/20 0.55
▸ CCR2 P41597 1/20 0.55
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SLC10A6 Q3KNW5 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
SCHEMBL13805783 0.93 CCR9 (0.55) CCR9CCR2LMNAHTTTP53
SCHEMBL343361 0.93 CCR9 (0.65) CCR9CCR2LMNAHTTTP53
SCHEMBL14065202 0.90 LMNA (0.66) CCR9CCR2LMNAHTTTP53
SCHEMBL343280 0.89 CCR9 (0.68) CCR9LMNAHTTTP53MAPT
SCHEMBL10249393 0.88 CCR9 (0.51) CCR9CCR2LMNAHTTTP53
SCHEMBL344408 0.87 LMNA (0.52) CCR9CCR2LMNAHTTTP53
SCHEMBL344537 0.85 CCR9 (0.63) CCR9CCR2LMNAHTTTP53
SCHEMBL10249410 0.84 CCR9 (0.69) CCR9LMNAHTTTP53MAPT
SCHEMBL342947 0.83 CCR9 (0.69) CCR9LMNAHTTTP53MAPT
SCHEMBL13805667 0.83 CCR9 (0.58) CCR9LMNAHTTTP53MAPT

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
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 — — US disclosed
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