SCHEMBL10080301

SCHEMBL10080301

O=C(O)c1cc(O)n(CC2CCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.54
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
RIOX2 Q8IUF8 1/20 0.38
KDM8 Q8N371 1/20 0.38
PTGER4 P35408 1/20 0.38
KDM4C Q9H3R0 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 1/20 0.36
KMO O15229 1/20 0.36
PTGER1 P34995 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FEN1 P39748 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
SCHEMBL15964700 0.83 P2RY14 (0.59) P2RY14KDM4EASPHRIOX2KDM8
SCHEMBL15964699 0.82 P2RY14 (0.60) P2RY14KDM4EASPHRIOX2KDM8
SCHEMBL360326 0.80 LMNA (0.53) P2RY14LMNAKMT2A
SCHEMBL15964697 0.80 P2RY14 (0.59) P2RY14CNR1CNR2PTGER1
SCHEMBL17292023 0.79 LMNA (0.55) P2RY14LMNAKMT2A
SCHEMBL15964701 0.76 P2RY14 (0.52) P2RY14CNR1CNR2LMNAPTGER1
SCHEMBL20388614 0.74 HTR2C (0.64) P2RY14PTGER4CNR1CNR2PTGER1
SCHEMBL16742700 0.73 MARS1 (0.49) P2RY14KDM4EHCAR2PTGER1
SCHEMBL18040417 0.73 P2RY14 (0.46) P2RY14KDM4EASPHRIOX2KDM8
SCHEMBL2323117 0.72 HCAR3 (0.42) P2RY14KDM4ECNR1CNR2HCAR2

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-2012008528-A1 PYRAZOLE COMPOUND 大日本住友製薬株式会社 (JP) 2012-01-19 WO disclosed