SCHEMBL4795025

SCHEMBL4795025

Cn1nccc1-c1cc([N+](=O)[O-])cc2ccoc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
GRK5 P34947 1/20 0.40
LIMK1 P53667 1/20 0.40
MAPT P10636 8/20 0.37
CASP6 P55212 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
CYP19A1 P11511 1/20 0.36
THRB P10828 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 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
SCHEMBL4794432 0.79 HTR2A (0.36) CHEK1DAPK3GRK5LIMK1MEN1
SCHEMBL1064035 0.77 MAPT (0.47) MAPTCASP6MEN1POLBKMT2A
SCHEMBL1064895 0.77 MAPT (0.50) MAPTCASP6MEN1POLBKMT2A
SCHEMBL4782514 0.77 FNTA (0.39) CHEK1DAPK3GRK5LIMK1MAPT
SCHEMBL1063743 0.75 ALDH1A1 (0.47) MAPTCASP6MEN1POLBKMT2A
SCHEMBL1166073 0.75 MAPT (0.54) CHEK1DAPK3GRK5LIMK1MAPT
SCHEMBL1064341 0.74 MAPT (0.39) MAPTCASP6MEN1POLBKMT2A
SCHEMBL1064317 0.74 MAPT (0.50) MAPTCASP6MEN1POLBKMT2A
SCHEMBL1063278 0.74 CHRNB2 (0.51) MAPTCASP6KDM4ELMNACYP19A1
SCHEMBL1063685 0.73 CHRNB2 (0.39) MAPTCASP6MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008027483-A1 BENZOFURAN DERIVATIVES AS MODULATORS OF THE 5-HT2A RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2008-03-06 WO disclosed