SCHEMBL8779285

SCHEMBL8779285

NCC(=O)NC(=O)Oc1nccc(OCc2ccc(F)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 4/20 0.39
PARP10 Q53GL7 1/20 0.39
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
AGTR1 P30556 1/20 0.37
NR4A2 P43354 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
CARM1 Q86X55 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8779246 0.89 MAOB (0.43) ALDH1A1MAOB
SCHEMBL8779168 0.89 SMN1; SMN2 (0.40) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL8779406 0.89 LTA4H (0.44) RAB9AMAPTL3MBTL1PARP10SMN1; SMN2
SCHEMBL8779331 0.86 MMP1 (0.41) KMT2AMEN1MAOBSMN1; SMN2
SCHEMBL8786130 0.86 KMT2A (0.45) KDM4EEPHX2ALDH1A1KMT2ARAB9A
SCHEMBL8785043 0.86 NPBWR1 (0.41) KDM4EEPHX2ALDH1A1KMT2AMEN1
SCHEMBL8779153 0.84 CARM1 (0.40) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL8779302 0.83 PLAU (0.36) ALDH1A1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL8779187 0.83 MRGPRX4 (0.37) ALDH1A1L3MBTL1MAOB
SCHEMBL8883279 0.82 KMT2A (0.44) KDM4EEPHX2ALDH1A1KMT2ARAB9A

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-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed