SCHEMBL4429679

SCHEMBL4429679

Cc1cc[c]c(-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.43
NPC1 O15118 5/20 0.42
MAPT P10636 4/20 0.42
IDH1 O75874 8/20 0.36
IDH2 P48735 1/20 0.36
RAB9A P51151 4/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
PDE10A Q9Y233 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4434312 0.82 MAPT (0.43) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL4061700 0.76 NPC1 (0.43) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL4608788 0.76 NPC1 (0.45) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL25015829 0.75 NPC1 (0.50) PRMT6NPC1MAPTRAB9ANPSR1
SCHEMBL4624222 0.72 PTGS2 (0.34) MAPT
SCHEMBL11983537 0.71 PRMT6 (0.43) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL8259527 0.70 NPC1 (0.58) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL9082652 0.70 PRMT6 (0.49) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL16202042 0.68 MAPT (0.52) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL13719485 0.68 IDH1 (0.51) PRMT6NPC1MAPTIDH1IDH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed