SCHEMBL9617079

SCHEMBL9617079

CCCCCCCOc1ccc(-c2ncc(CCCCCCC)cn2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.57
RAB9A P51151 8/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
MAPT P10636 6/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
NPC1 O15118 6/20 0.45
STAT3 P40763 1/20 0.45
ATM Q13315 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL6947347 0.85 RAB9A (0.51) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9720092 0.85 MAPT (0.52) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6947951 0.85 RAB9A (0.51) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6950774 0.84 NR5A1 (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7879470 0.84 CYP3A4 (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7882597 0.84 CYP3A4 (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7882425 0.84 CYP3A4 (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6956433 0.84 NR5A1 (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10501572 0.83 RARB (0.60) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10501983 0.83 RARB (0.60) RARBRAB9ASMN1; SMN2MAPTKDM4E

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
JP-4211680-A None JP disclosed
JP-H04211680-A PYRIDYLPYRIMIDINE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME FUJI PHOTO FILM CO LTD 1992-08-03 JP disclosed