SCHEMBL7879474

SCHEMBL7879474

CCCCCCCCc1ccc(-c2cnc(-c3ccc(OCCCC)nc3)nc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 3/20 0.38
RARB P10826 2/20 0.37
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
CNR2 P34972 2/20 0.33
ELOVL1 Q9BW60 1/20 0.33
DGAT1 O75907 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 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
SCHEMBL8188519 0.98 RAB9A (0.39) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7876058 0.98 RAB9A (0.39) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7871529 0.98 RAB9A (0.39) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7875881 0.91 RAB9A (0.36) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7880258 0.89 CYP3A4 (0.37) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7882429 0.85 CYP3A4 (0.39) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7878073 0.85 CYP3A4 (0.39) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL9341872 0.83 MAPT (0.58) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7877660 0.83 CYP3A4 (0.40) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7880089 0.83 CYP3A4 (0.40) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10

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-0883618-B1 DIFLUOROPHENYL PYRIMIDYL PYRIDINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2001-05-16 EP disclosed
US-6022492-A FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICE HOESCHT RESEARCH & TECHNOLOGY DEUTCHLAND GMBH & CO. (DE) 2000-02-08 US disclosed
EP-0883618-A1 DIFLUOROPHENYL PYRIMIDYL PYRIDINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-12-16 EP disclosed
WO-1997024351-A1 DIFLUOROPHENYL PYRIMIDYL PYRIDINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO.KG (DE) 1997-07-10 WO disclosed