SCHEMBL13693099

SCHEMBL13693099

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccnc(S(C)(=O)=O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 17/20 0.64
▸ CCR2 P41597 1/20 0.50
▸ KDM1A O60341 1/20 0.47
▸ METAP2 P50579 1/20 0.47
▸ 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
SCHEMBL343923 0.89 CCR9 (0.76) CCR9CCR2
SCHEMBL343780 0.86 CCR9 (0.78) CCR9CCR2KDM1A
SCHEMBL2532893 0.81 ALDH1A1 (0.65) CCR9CCR2KDM1AMETAP2SLC10A6
SCHEMBL12474674 0.79 CCR9 (0.63) CCR9CCR2
SCHEMBL16574547 0.79 CCR9 (0.61) CCR9KDM1AMETAP2
SCHEMBL344413 0.78 CCR9 (1.00) CCR9METAP2SLC10A6
SCHEMBL4649665 0.78 METAP2 (0.74) CCR9CCR2KDM1AMETAP2SLC10A6
SCHEMBL344369 0.77 CCR9 (0.79) CCR9CCR2
SCHEMBL15777341 0.77 CCR9 (0.78) CCR9CCR2
SCHEMBL343042 0.77 CCR9 (0.78) CCR9CCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582661-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2009-09-01 — — US disclosed
US-7582661-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2009-09-01 — — US disclosed
Send feedback