SCHEMBL6429681

SCHEMBL6429681

O=C(CCc1cncn1-c1ccc(F)cc1)Nc1ccc(CO[PH](=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MCHR1 Q99705 1/20 0.38
GAA P10253 5/20 0.38
LMNA P02545 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.38
P2RX7 Q99572 1/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL6429685 0.93 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1MCHR1GAA
SCHEMBL6432385 0.83 RAB9A (0.40) ALDH1A1MCHR1GAALMNARXFP1
SCHEMBL4833854 0.81 ENPP2 (0.45) CYP11B1CYP11B2ALDH1A1MCHR1GAA
SCHEMBL4836713 0.80 CYP11B1 (0.48) CYP11B1CYP11B2ALDH1A1MCHR1GAA
SCHEMBL6431408 0.79 MMP1 (0.41) ALDH1A1LMNARXFP1TP53RAB9A
SCHEMBL6431413 0.79 MMP1 (0.41) ALDH1A1LMNARXFP1TP53RAB9A
SCHEMBL4837021 0.79 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1MCHR1GAA
SCHEMBL27632133 0.78 RAB9A (0.40) CYP11B1CYP11B2ALDH1A1GAALMNA
SCHEMBL6432392 0.76 RAB9A (0.40) ALDH1A1MCHR1GAALMNARXFP1
SCHEMBL4837015 0.76 LMNA (0.39) CYP11B1CYP11B2ALDH1A1GAALMNA

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