SCHEMBL3261663

SCHEMBL3261663

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 1/20 0.39
BCL2 P10415 1/20 0.39
MDM2 Q00987 1/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
RAB9A P51151 2/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 1/20 0.37
PAX8 Q06710 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
SCHEMBL3264376 0.85 CYP1A2 (0.40) SMN1; SMN2POLBLMNAMEN1KMT2A
SCHEMBL3261819 0.83 KMT2A (0.44) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL3260789 0.81 NPSR1 (0.45) NPSR1SMN1; SMN2KDM4EPOLBAPEX1
SCHEMBL3385375 0.80 RAB9A (0.45) NPSR1SMN1; SMN2KDM4EPOLBAPEX1
SCHEMBL3390240 0.79 PLK1 (0.39) KDM4EDHODHMAPTALDH1A1HTT
SCHEMBL3261575 0.77 NPC1 (0.52) NPSR1SMN1; SMN2DHODHBCL2MDM2
SCHEMBL3264381 0.76 TRPM8 (0.43) NPSR1SMN1; SMN2KDM4EPOLBAPEX1
SCHEMBL3263308 0.76 NPSR1 (0.40) NPSR1SMN1; SMN2KDM4EPOLBAPEX1
SCHEMBL3262218 0.75 NPSR1 (0.49) NPSR1SMN1; SMN2KDM4EPOLBAPEX1
SCHEMBL3393032 0.75 ATM (0.46) NPSR1SMN1; SMN2KDM4EPOLBBCL2

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