SCHEMBL3263308

SCHEMBL3263308

Cc1c(-c2ccncc2)c(OC(C)C)nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
SRC P12931 2/20 0.40
BRAF P15056 2/20 0.40
KDR P35968 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRM4 Q14833 1/20 0.38
BCL2 P10415 1/20 0.38
MDM2 Q00987 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
KHK P50053 1/20 0.37
MAPK10 P53779 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3385375 0.92 RAB9A (0.45) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3261292 0.86 ALDH1A1 (0.46) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3393032 0.85 ATM (0.46) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3264381 0.81 TRPM8 (0.43) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3260654 0.79 MAPT (0.50) NPSR1BRAFALDH1A1KDM4EMAPT
SCHEMBL3264346 0.76 KDM4E (0.43) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3261663 0.76 NPSR1 (0.45) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3260789 0.76 NPSR1 (0.45) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3391830 0.74 DHODH (0.38) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13495117 0.74 DHODH (0.38) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2

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