SCHEMBL6532004

SCHEMBL6532004

COc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 17/20 0.76
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL343754 0.87 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL342801 0.81 CCR9 (0.88) CCR9LMNAHTTTP53MAPT
SCHEMBL344098 0.80 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL2531519 0.80 LMNA (0.82) CCR9LMNAHTTTP53MAPT
SCHEMBL12474689 0.79 LMNA (0.72) CCR9LMNAHTTTP53MAPT
SCHEMBL344541 0.78 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL343613 0.78 CCR9 (0.83) CCR9LMNAHTTTP53MAPT
SCHEMBL344987 0.78 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL344864 0.78 CCR9 (0.83) CCR9LMNAHTTTP53MAPT
SCHEMBL11934697 0.78 CCR9 (0.70) 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
WO-2005112925-A1 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2005-12-01 WO disclosed