SCHEMBL7298549

SCHEMBL7298549

CC1(C)C=C(n2cc([N+](=O)[O-])cc(Br)c2=O)c2cccnc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NQO2 P16083 1/20 0.31
CHEK1 O14757 1/20 0.31
PIM1 P11309 1/20 0.31
LIMK1 P53667 1/20 0.31
TYRO3 Q06418 1/20 0.31
MAPK14 Q16539 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
KAT2B Q92831 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
CASP6 P55212 1/20 0.30

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
SCHEMBL7291250 0.89 MAPT (0.35) MAPTTDP1L3MBTL1IDO1GAA
SCHEMBL7290947 0.88 MAPT (0.34) MAPTTDP1L3MBTL1IDO1POLB
SCHEMBL7288576 0.86 POLB (0.34) POLBGAATSHR
SCHEMBL7288963 0.85 NPC1 (0.33) MAPTTDP1L3MBTL1LMNA
SCHEMBL7379309 0.84 POLB (0.33) POLBGAATSHR
SCHEMBL7292787 0.84 L3MBTL1 (0.35) MAPTTDP1L3MBTL1POLBGAA
SCHEMBL7297727 0.83 TDP1 (0.37) MAPTTDP1L3MBTL1IDO1POLB
SCHEMBL7300527 0.81 TDP1 (0.33) MAPTTDP1L3MBTL1POLBKDM4E
SCHEMBL7292134 0.80 MAPT (0.35) MAPT
SCHEMBL7300852 0.80 MAPT (0.35) MAPT

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
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed