SCHEMBL13908074

SCHEMBL13908074

CCOC(=O)c1cnn(-c2ncc(Cl)cc2NSc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ P2RY12 Q9H244 10/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ PLAU P00749 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ CCR9 P51686 2/20 0.34

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
SCHEMBL13908072 0.84 PLAU (0.36) MAPTRAB9ANPC1GAAEGLN1
SCHEMBL2971896 0.84 CCR9 (0.48) LMNAP2RY12CCR9
SCHEMBL24510170 0.74 CYP2C9 (0.45) LMNAMAPTRAB9AMEN1NPC1
SCHEMBL13908050 0.73 — —
SCHEMBL12955953 0.71 ALDH1A1 (0.39) LMNAMAPTRAB9ANPC1GAA
SCHEMBL2969168 0.71 CCR9 (0.49) LMNACCR9
SCHEMBL2972076 0.70 HSD17B2 (0.49) EGLN1CCR9
SCHEMBL15578611 0.69 ALKBH1 (0.48) LMNARAB9ANPC1SMN1; SMN2
SCHEMBL23609426 0.69 P2RY12 (0.48) P2RY12
SCHEMBL2969998 0.69 HSD17B2 (0.47) CCR9

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-2009038847-A1 N-(2-(HETARYL)ARYL)ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL)ARYLSULFONAMIDES CHEMOCENTRYX, INC. (US) 2009-03-26 — — WO disclosed
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