SCHEMBL3261589

SCHEMBL3261589

Cc1nn(-c2ccc(Cl)cc2)c(OC(C)C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.38
VDR P11473 1/20 0.37
OPRM1 P35372 1/20 0.36
NR3C1 P04150 2/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL3265133 0.85 NPSR1 (0.45) MAPTGAATP53NPC1RAB9A
SCHEMBL3264256 0.82 GAA (0.41) MAPTGAATP53NPC1RAB9A
SCHEMBL3264878 0.77 CYP1A2 (0.40) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL3264193 0.75 MAPT (0.50) MAPTGAATP53NPC1RAB9A
SCHEMBL3386827 0.71 POLB (0.46) MAPTPOLBL3MBTL1
SCHEMBL3387671 0.70 POLB (0.69) MAPTGAATP53SMN1; SMN2POLB
SCHEMBL11792556 0.69 KMT2A (0.49) MAPTGAATP53NPC1RAB9A
SCHEMBL3264376 0.68 CYP1A2 (0.40) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL3262911 0.67 NPC1 (0.41) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL3262218 0.67 NPSR1 (0.49) MAPTGAATP53NPC1RAB9A

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
US-20100085319-A1 ORGANIC ELECTROCONDUCTIVE POLYMER COATING LIQUID, ORGANIC ELECTROCONDUCTIVE POLYMER FILM, ELECTRIC CONDUCTOR, AND RESISTIVE FILM TOUCH PANEL FUJIFILM CORPORATION (JP) 2010-04-08 US 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