SCHEMBL4608788

SCHEMBL4608788

Cc1[c]ccc(-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
MAPT P10636 4/20 0.45
PRMT6 Q96LA8 1/20 0.43
RAB9A P51151 4/20 0.40
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
POLB P06746 1/20 0.36
IDH1 O75874 5/20 0.36
IDH2 P48735 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MMP12 P39900 1/20 0.34
PDE10A Q9Y233 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL27978374 0.78 NPC1 (0.38) NPC1MAPTPRMT6RAB9ANPSR1
SCHEMBL28416920 0.78 NPC1 (0.40) NPC1MAPTPRMT6RAB9ANPSR1
SCHEMBL28422115 0.78 NPC1 (0.38) NPC1MAPTPRMT6RAB9ANPSR1
SCHEMBL16202042 0.78 MAPT (0.52) NPC1MAPTPRMT6RAB9ANPSR1
SCHEMBL695186 0.77 NPC1 (0.50) NPC1MAPTPRMT6RAB9ANPSR1
SCHEMBL5956069 0.77 NPC1 (0.49) NPC1MAPTPRMT6RAB9ANPSR1
SCHEMBL4429679 0.76 PRMT6 (0.43) NPC1MAPTPRMT6RAB9ANPSR1
SCHEMBL25015829 0.75 NPC1 (0.50) NPC1MAPTPRMT6RAB9ANPSR1
SCHEMBL8259527 0.74 NPC1 (0.58) NPC1MAPTPRMT6RAB9ANPSR1
SCHEMBL15985680 0.73 NPC1 (0.48) NPC1MAPTPRMT6RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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