SCHEMBL8535194

SCHEMBL8535194

CC(=O)c1ccc[n+]([O-])c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
CCR9 P51686 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.33
SLC2A1 P11166 1/20 0.33
MEN1 O00255 1/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL8536765 0.84 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDERCC5
SCHEMBL1247973 0.79 MAPT (0.48) KDM4ECCR9ALDH1A1HPGDMAPT
SCHEMBL31536078 0.79 MAPT (0.48) KDM4ECCR9ALDH1A1HPGDMAPT
SCHEMBL12458001 0.77 TSHR (0.59) KDM4EL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL9632759 0.74 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDTDP1
SCHEMBL17145456 0.74 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1HPGDGAA
SCHEMBL8533603 0.74 HTT (0.51) KDM4EL3MBTL1SMN1; SMN2HPGDGAA
SCHEMBL20312714 0.73 ALDH1A1 (0.35) KDM4EL3MBTL1ALDH1A1HPGDTDP1
SCHEMBL16199543 0.73 MAPT (0.40) L3MBTL1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL11912047 0.73 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1HPGDTDP1

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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed