SCHEMBL7829043

SCHEMBL7829043

COc1ccc(C(=O)Cl)c([N+](=O)[O-])c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MAPT P10636 3/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
PDE4D Q08499 2/20 0.38
MCL1 Q07820 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL30105934 0.87 PKM (0.69) PKMTDP1L3MBTL1KDM4EPOLB
SCHEMBL621983 0.87 PKM (0.69) PKMTDP1L3MBTL1KDM4EPOLB
SCHEMBL27748861 0.84 TDP1 (0.62) PKMTDP1L3MBTL1KDM4EPOLB
SCHEMBL29033627 0.81 PKM (0.75) PKMTDP1L3MBTL1KDM4EPOLB
SCHEMBL30498928 0.81 PKM (0.75) PKMTDP1L3MBTL1KDM4EPOLB
SCHEMBL1977244 0.81 HPGD (0.49) PKMTDP1L3MBTL1KDM4EPOLB
SCHEMBL28114768 0.80 ALDH1A1 (0.53) PKMTDP1L3MBTL1KDM4EPOLB
SCHEMBL27448977 0.80 MAPT (0.55) PKMTDP1L3MBTL1KDM4EPOLB
SCHEMBL6150576 0.79 LMNA (0.46) PKMTDP1L3MBTL1KDM4EPOLB
SCHEMBL5962811 0.79 PKM (0.58) PKMTDP1L3MBTL1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed