SCHEMBL1436901

SCHEMBL1436901

Cc1ncccc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CCR4 P51679 2/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43
▸ CCR9 P51686 8/20 0.43
▸ CCR1 P32246 1/20 0.43
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL304908 0.79 CCR9 (0.55) CCR2CYP3A4CYP2C9CYP2C19CCR4
SCHEMBL12161518 0.77 FFAR4 (0.51) CCR2CYP3A4CYP2C9CYP2C19CCR4
SCHEMBL10222601 0.76 FFAR4 (0.50) CCR2CYP3A4CYP2C9CYP2C19CCR4
SCHEMBL12595050 0.74 CCR9 (0.44) CCR2CYP3A4CYP2C9CYP2C19CCR4
SCHEMBL10223736 0.74 CCR2 (0.58) CCR2CYP3A4CYP2C9CYP2C19CCR4
SCHEMBL10223655 0.74 CCR9 (0.57) CCR2CYP3A4CYP2C9CYP2C19CCR4
SCHEMBL14458036 0.72 NAMPT (0.49) CCR2ALDH1A1POLBCCR9LMNA
SCHEMBL343122 0.72 CCR9 (0.75) CCR9LMNAHTT
SCHEMBL10222598 0.72 CCR9 (0.49) CCR2CYP3A4CYP2C9CYP2C19CCR4
SCHEMBL10223642 0.72 FFAR4 (0.43) CCR2CYP3A4CYP2C9CYP2C19CCR4

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
EP-1838674-B9 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX INC (US) 2011-11-02 — — EP disclosed
EP-1838674-B1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX INC (US) 2011-03-30 — — EP disclosed
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