SCHEMBL3262901

SCHEMBL3262901

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
KMT2A Q03164 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
APP P05067 1/20 0.38
PDE5A O76074 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.36
ACHE P22303 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3264346 0.83 KDM4E (0.43) TSHRPDE1APDE1BPDE1CKMT2A
SCHEMBL3259325 0.78 MAPT (0.42) KMT2AMAPTNPC1RAB9APOLB
SCHEMBL3263059 0.74 TRPM8 (0.46) TSHRKMT2ATRPM8MAPTKDM4E
SCHEMBL3259645 0.73 KMT2A (0.50) TSHRKMT2ATRPM8APPMAPT
SCHEMBL3262520 0.73 MAPT (0.48) TSHRMAPTALDH1A1KDM4ENPC1
SCHEMBL3391844 0.71 DHODH (0.33) KMT2AL3MBTL1
SCHEMBL13495101 0.70 DHODH (0.33)
SCHEMBL31617223 0.68 ALDH1A1 (0.47) TSHRPDE1APDE1BPDE1CKMT2A
SCHEMBL3264182 0.66 KCNN4 (0.39) TRPM8MAPTALDH1A1KDM4EHPGD
SCHEMBL3390240 0.66 PLK1 (0.39) TRPM8MAPTALDH1A1KDM4EHPGD

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