SCHEMBL9550477

SCHEMBL9550477

CO/C=C(/C(=O)OC)c1cccc2cc(-c3ccc([N+](=O)[O-])cc3)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.42
AR P10275 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
PTPN1 P18031 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9550507 0.86 ERAP1 (0.47) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL9550484 0.86 MAOA (0.47) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9368976 0.85 NTRK1 (0.49) ADORA3MAPTMEN1KMT2AALDH1A1
SCHEMBL10549283 0.84 ADORA3 (0.48) ADORA3ADORA2AMAPTMEN1KMT2A
SCHEMBL9550451 0.83 SLC6A3 (0.43) MEN1KMT2AALDH1A1MAOAERAP1
SCHEMBL9550495 0.82 CYSLTR1 (0.49) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL9550421 0.81 ERAP1 (0.41) ADORA3ADORA2AALDH1A1LMNARAB9A
SCHEMBL9370300 0.80 PTPN1 (0.47) MAPTALDH1A1ERAP1PTPN1NPC1
SCHEMBL9367517 0.80 HDAC3 (0.47) MAPTMEN1KMT2AALDH1A1MAOA
SCHEMBL10547237 0.79 MAOA (0.56) ADORA3ADORA2AMEN1KMT2AMAOA

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-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed