SCHEMBL7469591

SCHEMBL7469591

CCON=C(C(C)=C(ON)c1ccccc1C(=COC)C(=O)OC)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7463037 0.92 SMN1; SMN2 (0.38) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL8542626 0.91 RAB9A (0.33) RAB9ANPC1ATMSMN1; SMN2MAPT
SCHEMBL7470568 0.89 MAPK14 (0.38) ATMSMN1; SMN2KDM4E
SCHEMBL7469946 0.89 ALDH1A1 (0.35) SMN1; SMN2KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL7467262 0.86 MAPK14 (0.39) MAPT
SCHEMBL7470227 0.84 HIF1A (0.42) RAB9ANPC1SMN1; SMN2KDM4ETDP1
SCHEMBL7467521 0.83 MAOB (0.40) RAB9ANPC1ATMSMN1; SMN2MAPT
SCHEMBL7469583 0.81 HIF1A (0.35) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7469587 0.81 HIF1A (0.35) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7465135 0.81 MAOB (0.43) RAB9AATMMAPTALDH1A1

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
EP-0865424-B1 PESTICIDES BAYER AG (DE) 2002-09-18 EP disclosed
EP-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed