SCHEMBL4590810

SCHEMBL4590810

COC(=O)c1ccc(OC(F)F)c2oc(/C=C\C(=O)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 6/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 3/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
PDE4D Q08499 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 2/20 0.34
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 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
SCHEMBL73135 0.87 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EATMALDH1A1HPGD
SCHEMBL73134 0.87 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EATMALDH1A1HPGD
SCHEMBL4574462 0.86 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1HPGDMAPK1
SCHEMBL74012 0.82 PDE5A (0.40) SMN1; SMN2PDE4D
SCHEMBL8190655 0.82 AKR1C3 (0.38) SMN1; SMN2KDM4EALDH1A1HPGDMAPK1
SCHEMBL74013 0.82 PDE5A (0.40) SMN1; SMN2PDE4D
SCHEMBL4574938 0.80 MEN1 (0.38) SMN1; SMN2KDM4EALDH1A1MAPK1NPC1
SCHEMBL74642 0.72 PDE4A (0.44) SMN1; SMN2KDM4EALDH1A1HPGDPDE4D
SCHEMBL5973105 0.69 ALDH1A1 (0.38) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL6605487 0.68 NPC1 (0.38) KDM4EALDH1A1NPC1RAB9APDE4D

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
WO-2008081282-A2 PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF GLENMARK PHARMACEUTICALS S.A. (US) 2008-07-10 WO disclosed