SCHEMBL3264381

SCHEMBL3264381

Cc1c(-c2ccccn2)c(OC(C)C)nn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
GRM4 Q14833 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
DHODH Q02127 2/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MITF O75030 1/20 0.36
CBFB Q13951 1/20 0.36
POLB P06746 2/20 0.36
GFER P55789 1/20 0.36
BCL2 P10415 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35
ATM Q13315 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL3385375 0.83 RAB9A (0.45) NPSR1GRM4MAPTKDM4EALDH1A1
SCHEMBL3263059 0.82 TRPM8 (0.46) TRPM8NPSR1GRM4MAPTKDM4E
SCHEMBL3263308 0.81 NPSR1 (0.40) NPSR1GRM4MAPTKDM4EALDH1A1
SCHEMBL27513051 0.78 MAPT (0.58) NPSR1GRM4MAPTKDM4EALDH1A1
SCHEMBL3261292 0.78 ALDH1A1 (0.46) NPSR1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3393032 0.77 ATM (0.46) NPSR1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3264346 0.76 KDM4E (0.43) NPSR1GRM4MAPTKDM4EALDH1A1
SCHEMBL3260789 0.76 NPSR1 (0.45) NPSR1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3261663 0.76 NPSR1 (0.45) NPSR1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL13495117 0.74 DHODH (0.38) NPSR1GRM4MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412317-B1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMOR AND PROAPOPTOTIC ACTIVITIES SIGMA TAU IND FARMACEUTI (IT) 2010-12-22 EP claimed
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