SCHEMBL8306759

SCHEMBL8306759

N#Cc1ccc(Oc2ccc3ccccc3c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.52
OPRM1 P35372 1/20 0.52
HAO1 Q9UJM8 1/20 0.48
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
MAP4K4 O95819 2/20 0.43
HPGDS O60760 1/20 0.42
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
THRB P10828 1/20 0.42
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
GABRA5 P31644 1/20 0.41
SCN7A Q01118 1/20 0.40
P2RX3 P56373 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL6158872 0.82 OPRM1 (0.61) PDE4BOPRM1NPC1RAB9AMAP4K4
SCHEMBL27300666 0.79 PDE4B (0.50) PDE4BOPRM1HAO1MEN1KMT2A
SCHEMBL27299799 0.79 PDE4B (0.52) PDE4BOPRM1MEN1KMT2AMAP4K4
SCHEMBL921076 0.79 CYP19A1 (0.50) PDE4BMEN1NPC1RAB9AKMT2A
SCHEMBL27297116 0.78 PDE4B (0.48) PDE4BOPRM1MEN1KMT2AMAP4K4
SCHEMBL31473410 0.78 PDE4B (0.48) PDE4BOPRM1MEN1KMT2AMAP4K4
SCHEMBL27299558 0.78 PDE4B (0.48) PDE4BOPRM1MEN1KMT2AMAP4K4
SCHEMBL24665295 0.76 OPRM1 (0.52) PDE4BOPRM1HAO1MAP4K4FPR2
SCHEMBL6160870 0.76 MEN1 (0.58) PDE4BOPRM1MEN1KMT2AMAP4K4
SCHEMBL8237112 0.76 KDM4E (0.54) PDE4BOPRM1MEN1NPC1RAB9A

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
EP-0891975-A1 PYRAZOLES AND AGRICULTURAL CHEMICALS CONTAINING THEM AS ACTIVE INGREDIENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1999-01-20 EP disclosed