SCHEMBL27740306

SCHEMBL27740306

Oc1nn(F)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.34
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33
IDO1 P14902 1/20 0.33
RORC P51449 1/20 0.33
BACE1 P56817 2/20 0.32
KDM4E B2RXH2 4/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ELANE P08246 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GLS O94925 1/20 0.31

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
SCHEMBL3802279 0.76 POLB (0.39) GPR3CYP2C19CYP1A2POLBIDO1
SCHEMBL3532632 0.76 GPR3 (0.36) GPR3CYP2C19CYP1A2POLBBACE1
SCHEMBL28079370 0.74 GPR3 (0.34) GPR3CYP2C19CYP1A2POLBKDM4E
SCHEMBL30599479 0.74 GLS (0.50) GPR3POLBKDM4EHSD17B10ELANE
SCHEMBL27623423 0.74 KDM4E (0.41) GPR3CYP2C19CYP1A2POLBBACE1
SCHEMBL27721238 0.74 GPR3 (0.34) GPR3CYP2C19CYP1A2POLBIDO1
SCHEMBL12998307 0.74 KDM4E (0.47) GPR3CYP2C19POLBKDM4EHSD17B10
SCHEMBL19798248 0.74 GPR3 (0.34) GPR3CYP2C19CYP1A2POLBIDO1
SCHEMBL28150127 0.74 ELANE (0.35) GPR3CYP2C19CYP1A2POLBIDO1
SCHEMBL27740479 0.74 ESR1 (0.35) KDM4EATM

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
CN-101282939-A Diacyl indazole derivatives as lipase and phospholipase inhibitors SANOFI AVENTIS (FR) 2008-10-08 CN disclosed