SCHEMBL9485359

SCHEMBL9485359

c1ccc(-c2ccc(COc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.57
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYSLTR1 Q9Y271 3/20 0.45
CYSLTR2 Q9NS75 2/20 0.45
PDE10A Q9Y233 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
PDE5A O76074 1/20 0.44
CYP3A4 P08684 1/20 0.44
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMPD1 P17405 1/20 0.43
GSTP1 P09211 1/20 0.42

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
SCHEMBL1010648 0.90 MEN1 (0.53) ADAMTS4MEN1MAPTKMT2ACYSLTR1
SCHEMBL28230139 0.88 CYP3A4 (0.55) ADAMTS4MEN1MAPTKMT2ACYSLTR1
SCHEMBL28787263 0.86 CYSLTR1 (0.52) ADAMTS4MEN1MAPTKMT2ACYSLTR1
SCHEMBL8621924 0.84 LMNA (0.50) ADAMTS4MEN1MAPTKMT2ACYSLTR1
SCHEMBL6627563 0.82 MEN1 (0.49) ADAMTS4MEN1MAPTKMT2ACYSLTR1
SCHEMBL19745071 0.80 MAOB (0.51) ADAMTS4MEN1MAPTKMT2ACYSLTR1
SCHEMBL6089769 0.75 CYSLTR1 (0.53) ADAMTS4MEN1MAPTKMT2ACYSLTR1
SCHEMBL10858970 0.75 CYP3A4 (0.56) MAPTCYSLTR1CYSLTR2HDAC6CYP3A4
SCHEMBL27324326 0.75 MEN1 (0.59) MEN1MAPTKMT2ACYSLTR1CYSLTR2
SCHEMBL14763914 0.74 CYP3A4 (0.48) ADAMTS4MEN1KMT2ACYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185340-A Angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-09 US disclosed