SCHEMBL9740648

SCHEMBL9740648

COc1ccc2[c]cccc2c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
NCEH1 Q6PIU2 1/20 0.39
MAPT P10636 2/20 0.38
BLM P54132 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
BRCA1 P38398 1/20 0.36
HNF4A P41235 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
S1PR4 O95977 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
SCHEMBL11831020 0.81 TSHR (0.56) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL4303054 0.79 TDP1 (0.42) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL28215127 0.75 TDP1 (0.56) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL4308681 0.75 SMN1; SMN2 (0.40) KDM4EPOLBALDH1A1MAPTCYP1A2
SCHEMBL9739241 0.75 MAPT (0.36) L3MBTL1KDM4EPOLBMEN1KMT2A
SCHEMBL1554959 0.75 TDP1 (0.52) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL29625716 0.73 NCEH1 (0.64) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL4594864 0.73 NCEH1 (0.64) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL8904048 0.73 NSD2 (0.36) KDM4EKMT2AALDH1A1NCEH1MAPT
SCHEMBL1179747 0.73 TDP1 (0.62) TDP1L3MBTL1KDM4EPOLBCTDSP1

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed