SCHEMBL3264346

SCHEMBL3264346

COc1ccccc1-c1c(OC(C)C)nn(-c2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PRNP P04156 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
GFER P55789 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL3262901 0.83 TSHR (0.40) KDM4ENPSR1TSHRMAPTHIF1A
SCHEMBL3385375 0.81 RAB9A (0.45) KDM4ENPSR1SMN1; SMN2MAPTALDH1A1
SCHEMBL3260654 0.77 MAPT (0.50) KDM4ENPSR1SMN1; SMN2TSHRMAPT
SCHEMBL3263308 0.76 NPSR1 (0.40) KDM4ENPSR1SMN1; SMN2MAPTLMNA
SCHEMBL3264381 0.76 TRPM8 (0.43) KDM4ENPSR1SMN1; SMN2MAPTLMNA
SCHEMBL3393032 0.75 ATM (0.46) KDM4ENPSR1SMN1; SMN2MAPTLMNA
SCHEMBL3260789 0.74 NPSR1 (0.45) KDM4ENPSR1SMN1; SMN2TSHRMAPT
SCHEMBL3261663 0.74 NPSR1 (0.45) KDM4ENPSR1SMN1; SMN2TSHRMAPT
SCHEMBL3261292 0.73 ALDH1A1 (0.46) KDM4ENPSR1SMN1; SMN2MAPTALDH1A1
SCHEMBL13495117 0.72 DHODH (0.38) KDM4ENPSR1SMN1; SMN2TSHRMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed