SCHEMBL8744959

SCHEMBL8744959

O=CNC(=Cc1ccccc1)c1cccc(C(=Cc2ccccc2)NC=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.43
UNG P13051 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PRMT1 Q99873 1/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 2/20 0.39

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
SCHEMBL8744885 0.87 ALDH1A1 (0.44) AKR1C1LMNAMAPTKMT2AALDH1A1
SCHEMBL8744879 0.76 ALDH1A1 (0.41) AKR1C1LMNAMAPTKMT2AALDH1A1
SCHEMBL11211096 0.72 RAB9A (0.39) AKR1C1UNGLMNAMAPTKMT2A
SCHEMBL8744893 0.69 ALDH1A1 (0.34) ALDH1A1POLBTDP1L3MBTL1
SCHEMBL2747632 0.69 ESR1 (0.63) AKR1C1PRMT1ATMTDP1L3MBTL1
SCHEMBL2747630 0.69 ESR1 (0.63) AKR1C1PRMT1ATMTDP1L3MBTL1
SCHEMBL15969887 0.68 AKR1C3 (0.48) AKR1C1LMNAMAPTKMT2AALDH1A1
SCHEMBL15052966 0.68 AKR1C3 (0.48) AKR1C1LMNAMAPTKMT2AALDH1A1
SCHEMBL14130850 0.68 AKR1C3 (0.48) AKR1C1LMNAMAPTKMT2AALDH1A1
SCHEMBL15969889 0.68 TDP1 (0.43) MAPTKMT2AALDH1A1MEN1POLB

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
EP-0754693-A2 Novel aminophenylphosphonic acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-01-22 EP disclosed