SCHEMBL7300527

SCHEMBL7300527

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
POLB P06746 2/20 0.32
PDE7A Q13946 1/20 0.32
MAPT P10636 7/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
KDM4E B2RXH2 2/20 0.31
PKM P14618 2/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
OPRK1 P41145 1/20 0.31
BRD4 O60885 1/20 0.31
HPGD P15428 1/20 0.31

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 0.90 MAPT (0.35) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL7288963 0.88 NPC1 (0.33) TDP1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7298334 0.85 TNKS (0.33) MAPTSMN1; SMN2LMNA
SCHEMBL7290947 0.85 MAPT (0.34) TDP1MEN1KMT2APOLBPDE7A
SCHEMBL7288952 0.84 TDP1 (0.33) TDP1MEN1KMT2APOLBPDE7A
SCHEMBL7301120 0.83 NR4A2 (0.31) MAPTSMN1; SMN2LMNA
SCHEMBL7301079 0.83 MET (0.35) TDP1HSD11B1MEN1KMT2APOLB
SCHEMBL7290570 0.81 CHUK (0.34) PDE7A
SCHEMBL7298549 0.81 MAPT (0.34) TDP1MEN1KMT2APOLBMAPT
SCHEMBL7289644 0.80 CHUK (0.34) PDE7A

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