SCHEMBL8444087

SCHEMBL8444087

C=Cc1cc(OC)c2c(F)cc3cccnc3c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
DYRK1A Q13627 1/20 0.38
PDE10A Q9Y233 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SLC40A1 Q9NP59 4/20 0.36
HTR1A P08908 1/20 0.35
CCR1 P32246 3/20 0.35
CCR8 P51685 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CCR5 P51681 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GRM4 Q14833 1/20 0.34

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
SCHEMBL2479017 0.88 NPC1 (0.40) LMNAMAPTSMN1; SMN2PDGFRBPDGFRA
SCHEMBL3455915 0.84 HSP90AA1 (0.43) LMNAMAPTSMN1; SMN2GAAMAPK1
SCHEMBL13372720 0.84 HSP90AA1 (0.43) LMNAMAPTSMN1; SMN2GAAMAPK1
SCHEMBL2475249 0.84 HSP90AA1 (0.43) LMNAMAPTSMN1; SMN2GAAMAPK1
SCHEMBL12047118 0.82 CCR1 (0.42) LMNAMAPTSMN1; SMN2PDGFRBPDGFRA
SCHEMBL8444089 0.81 LMNA (0.45) LMNAMAPTSMN1; SMN2GAAMAPK1
SCHEMBL2499994 0.78 PDE10A (0.45) LMNAMAPTSMN1; SMN2PDGFRBPDGFRA
SCHEMBL2475246 0.77 HSP90AA1 (0.37) MAPTSMN1; SMN2GAAMAPK1PDGFRB
SCHEMBL2475243 0.77 HSP90AA1 (0.37) MAPTSMN1; SMN2GAAMAPK1PDGFRB
SCHEMBL2472427 0.76 KMT2A (0.41) LMNAMAPTDYRK1AMEN1KMT2A

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-2373650-B1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA SA (ES) 2012-10-24 EP disclosed
WO-2010066832-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2010-06-17 WO disclosed
EP-2196466-A1 Triple substituted phenanthroline derivatives for the treatment of neurodegenerative or heamatological diseases or conditions NOSCIRA, S.A. (ES) 2010-06-16 EP disclosed