SCHEMBL9539844

SCHEMBL9539844

CC=Cn1c(Cc2ccc(Br)cc2)cc2ccccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
CASP1 P29466 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SAE1 Q9UBE0 1/20 0.35

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
SCHEMBL9542481 0.80 HSD17B10 (0.37) KMT2AMEN1GAAPKMCASP1
SCHEMBL9542478 0.80 HSD17B10 (0.37) KMT2AMEN1GAAPKMCASP1
SCHEMBL9543780 0.79 ALDH1A1 (0.41) PDE3BPDE3AKMT2ANPC1RAB9A
SCHEMBL9542612 0.75 MAPT (0.40) LMNASMN1; SMN2GAA
SCHEMBL9542616 0.75 MAPT (0.40) LMNASMN1; SMN2GAA
SCHEMBL9541340 0.72 PDE3B (0.37) PDE3BPDE3AKMT2AMEN1GAA
SCHEMBL9539925 0.69 KMT2A (0.37) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL9539919 0.69 KMT2A (0.37) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL8801682 0.68 SLC5A2 (0.44) KMT2A
SCHEMBL9541398 0.67 VKORC1 (0.34) PDE3BPDE3AVKORC1

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
WO-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 WO disclosed