SCHEMBL3385375

SCHEMBL3385375

Cc1c(-c2ccccc2)c(OC(C)C)nn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BCL2 P10415 1/20 0.40
MDM2 Q00987 1/20 0.40
MCL1 Q07820 1/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
GRM4 Q14833 1/20 0.38
DHODH Q02127 2/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL3263308 0.92 NPSR1 (0.40) RAB9ASMN1; SMN2NPC1NPSR1KDM4E
SCHEMBL3393032 0.90 ATM (0.46) RAB9ASMN1; SMN2NPC1NPSR1KDM4E
SCHEMBL3261292 0.88 ALDH1A1 (0.46) RAB9ASMN1; SMN2NPC1NPSR1KDM4E
SCHEMBL3260654 0.86 MAPT (0.50) RAB9ASMN1; SMN2NPC1NPSR1KDM4E
SCHEMBL3264381 0.83 TRPM8 (0.43) RAB9ASMN1; SMN2NPC1NPSR1KDM4E
SCHEMBL3259325 0.81 MAPT (0.42) RAB9ASMN1; SMN2NPC1NPSR1MAPT
SCHEMBL3264346 0.81 KDM4E (0.43) RAB9ASMN1; SMN2NPC1NPSR1KDM4E
SCHEMBL3261663 0.80 NPSR1 (0.45) RAB9ASMN1; SMN2NPC1NPSR1KDM4E
SCHEMBL3260789 0.80 NPSR1 (0.45) RAB9ASMN1; SMN2NPC1NPSR1KDM4E
SCHEMBL13495117 0.79 DHODH (0.38) RAB9ASMN1; SMN2NPC1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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