SCHEMBL8588707

SCHEMBL8588707

COc1ccc(CCc2ccc3ccccc3n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
NOD2 Q9HC29 1/20 0.57
PDE10A Q9Y233 2/20 0.54
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GLA P06280 2/20 0.51
POLB P06746 2/20 0.51
TTR P02766 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RAD52 P43351 1/20 0.51
OPRM1 P35372 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CYP19A1 P11511 1/20 0.49

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
SCHEMBL4658526 0.82 MAPT (0.60) KMT2AMEN1PDE10AKDM4EALDH1A1
SCHEMBL28002003 0.81 MEN1 (0.55) KMT2AMEN1PDE10AKDM4ENPC1
SCHEMBL28001704 0.80 DHFR (0.58) SMN1; SMN2MAPTABCB1
SCHEMBL27371075 0.80 CYSLTR1 (0.49) PDE10ASIGMAR1CYP1A2
SCHEMBL22209200 0.80 FFAR1 (0.55) PKMKMT2AMEN1NOD2PDE10A
SCHEMBL28002107 0.78 DHFR (0.58) KMT2AMEN1PDE10ASMN1; SMN2CYP1A2
SCHEMBL18546229 0.78 FFAR1 (0.48) PDE10A
SCHEMBL1695565 0.77 AKT1 (0.51) PKMKMT2AMEN1NOD2PDE10A
SCHEMBL10547704 0.76 PDE10A (0.64) PDE10ACYP1A2
SCHEMBL2913941 0.76 PDE10A (0.61) PDE10ACYP1A2CYP3A4CYP2D6

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-0606380-B1 2-SUBSTITUTED QUINOLINES FOR TREATING LEISHMANIOSES ORSTOM (FR) 1998-11-25 EP disclosed
US-5541196-A ANTIPROTOZOA AGENTS INSTITUT FRANCAIS DE RECHERCHE SCIENTIFIQUE POUR LE DEVELOPPMENT EN COOPERATION (ORSTOM) (FR) 1996-07-30 US disclosed
EP-0606380-A1 2-SUBSTITUTED QUINOLINES FOR TREATING LEISHMANIOSES INSTITUT FRANCAIS DE RECHERCHE SCIENTIFIQUE POUR LE DEVELOPPEMENT EN COOPERATION (ORSTOM) (FR) 1994-07-20 EP disclosed
WO-1993007125-A1 2-SUBSTITUTED QUINOLINES FOR TREATING LEISHMANIOSES INSTITUT FRANÇAIS DE RECHERCHE SCIENTIFIQUE POUR LE DEVELOPPEMENT EN COOPERATION (ORSTOM) (FR) 1993-04-15 WO disclosed