SCHEMBL8934562

SCHEMBL8934562

Nc1ccc(O)c2c(=O)cc(-c3ccccc3)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
MAPT P10636 5/20 0.67
KMT2A Q03164 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
POLB P06746 1/20 0.67
GAA P10253 1/20 0.67
CYP1A1 P04798 5/20 0.60
CYP1A2 P05177 5/20 0.60
CYP1B1 Q16678 5/20 0.60
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 4/20 0.60
ALOX15 P16050 3/20 0.60
FTO Q9C0B1 3/20 0.60
PKM P14618 2/20 0.60
AR P10275 2/20 0.60
GABRP O00591 4/20 0.58
GABRD O14764 4/20 0.58
GABRA1 P14867 4/20 0.58

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
SCHEMBL4783697 0.88 ALDH1A1 (0.67) MEN1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL28066043 0.82 GABRP (0.65) MEN1MAPTKMT2ASMN1; SMN2CYP1A1
SCHEMBL30738943 0.79 ACHE (0.73) MEN1MAPTKMT2ASMN1; SMN2NPC1
Norwogonin SCHEMBL760431 0.79 GABRP (0.68) MEN1MAPTKMT2ASMN1; SMN2GAA
Norwogonin SCHEMBL30485998 0.79 GABRP (0.68) MEN1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL12835534 0.78 ABCB1 (0.55) MEN1MAPTKMT2ASMN1; SMN2CYP1A1
SCHEMBL17786501 0.78 MAPT (0.66) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL17786515 0.78 ABCB1 (0.67) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL27719536 0.77 PPARG (0.68) MEN1MAPTKMT2ASMN1; SMN2CYP1A1
SCHEMBL29149073 0.77 GABRP (0.70) MEN1MAPTKMT2ASMN1; SMN2CYP1A1

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
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed