SCHEMBL14313772

SCHEMBL14313772

Cn1c(-c2ncc(Cl)cc2NSc2ccc(C(C)(C)C)cc2)nnc1C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ EP300 Q09472 1/20 0.32
▸ PLAT P00750 1/20 0.30

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
SCHEMBL1035038 0.83 HSD17B2 (0.44) —
SCHEMBL12955904 0.70 APLNR (0.33) —
SCHEMBL1038945 0.69 HSD17B2 (0.41) —
SCHEMBL1037086 0.69 HSD17B2 (0.41) —
SCHEMBL1093939 0.68 CCR9 (0.52) —
SCHEMBL12955953 0.64 ALDH1A1 (0.39) KMT2ALRRK2
SCHEMBL1037648 0.63 HSD17B2 (0.50) —
SCHEMBL1035744 0.62 CCR9 (0.47) —
SCHEMBL1034965 0.61 HSD17B2 (0.41) —
SCHEMBL1038886 0.61 HSD17B2 (0.47) —

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-2008008375-A2 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2008-01-17 — — WO disclosed
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