SCHEMBL6432385

SCHEMBL6432385

O=C(CCc1nncn1-c1ccc(F)cc1)Nc1ccc(CO[PH](=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
GAA P10253 5/20 0.39
RXFP1 Q9HBX9 4/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MCHR1 Q99705 1/20 0.38
ATM Q13315 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL6432392 0.93 RAB9A (0.40) RAB9AGAARXFP1LMNAALDH1A1
SCHEMBL6429681 0.83 CYP11B1 (0.41) RAB9AGAARXFP1LMNAALDH1A1
SCHEMBL4833529 0.81 ENPP2 (0.45) RAB9AGAARXFP1LMNAALDH1A1
SCHEMBL4835333 0.80 ATM (0.41) RAB9AGAARXFP1LMNAALDH1A1
SCHEMBL4836520 0.79 TP53 (0.42) RAB9AGAARXFP1LMNAALDH1A1
SCHEMBL27632023 0.78 RAB9A (0.43) RAB9AGAARXFP1LMNAALDH1A1
SCHEMBL6429685 0.76 CYP11B1 (0.42) RAB9AGAARXFP1LMNAALDH1A1
SCHEMBL4836514 0.76 RAB9A (0.41) RAB9AGAARXFP1LMNAALDH1A1
SCHEMBL4835322 0.75 RXFP1 (0.41) RAB9AGAARXFP1LMNAALDH1A1
SCHEMBL6431408 0.71 MMP1 (0.41) RAB9ARXFP1LMNAALDH1A1TP53

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-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed