SCHEMBL3705290

SCHEMBL3705290

CC(C)(C)C(Cc1cc(S(=O)(=O)c2cccnc2)n(-c2cc(F)ccc2Cl)n1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.41
NAMPT P43490 8/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
POLB P06746 1/20 0.33
MCL1 Q07820 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
P2RX7 Q99572 2/20 0.32
SCN9A Q15858 1/20 0.32
GAA P10253 1/20 0.32
USP30 Q70CQ3 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL3700852 0.92 FPR1 (0.36) FPR1NAMPTABCC9ABCC8KCNJ11
SCHEMBL3693159 0.92 FPR1 (0.42) FPR1NAMPTABCC9ABCC8KCNJ11
SCHEMBL4566346 0.89 FPR1 (0.38) FPR1NAMPTABCC9ABCC8KCNJ11
SCHEMBL3808568 0.87 FPR1 (0.39) FPR1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3699809 0.86 FPR1 (0.39) FPR1NAMPTABCC9ABCC8KCNJ11
SCHEMBL3701317 0.85 FPR1 (0.38) FPR1NAMPTABCC9ABCC8KCNJ11
SCHEMBL3695803 0.85 FPR1 (0.38) FPR1NAMPTABCC9ABCC8KCNJ11
Fumaric Acid SCHEMBL3702664 0.85 FPR1 (0.38) FPR1NAMPTABCC9ABCC8KCNJ11
SCHEMBL3699026 0.83 PTGDR2 (0.35) FPR1ABCC9ABCC8KCNJ11KCNJ8
Fumaric Acid SCHEMBL3708414 0.83 SLC16A3 (0.32) FPR1NAMPTABCC9ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed