SCHEMBL9039265

SCHEMBL9039265

c1ccc2c(c1)-c1cc3ccccc3cc1-2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
HSD17B10 Q99714 6/20 0.68
CASP1 P29466 5/20 0.68
MAPK1 P28482 4/20 0.68
HIF1A Q16665 4/20 0.68
CASP7 P55210 4/20 0.68
TSHR P16473 3/20 0.68
HPGD P15428 3/20 0.68
TP53 P04637 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.53
CYP2A6 P11509 5/20 0.47
ALOX12 P18054 1/20 0.47
NQO2 P16083 1/20 0.43
PTPRC P08575 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CES2 O00748 1/20 0.42
APAF1 O14727 1/20 0.42
TERT O14746 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
SCHEMBL28763536 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1MAPK1HIF1A
SCHEMBL9042905 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1MAPK1HIF1A
SCHEMBL5917389 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1MAPK1HIF1A
SCHEMBL1811522 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1MAPK1HIF1A
SCHEMBL1154675 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1MAPK1HIF1A
SCHEMBL1979202 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1MAPK1HIF1A
Anthracene SCHEMBL7567327 0.89 ALDH1A1 (0.56) ALDH1A1HSD17B10CASP1MAPK1HIF1A
Anthracene SCHEMBL20896975 0.89 ALDH1A1 (0.56) ALDH1A1HSD17B10CASP1MAPK1HIF1A
SCHEMBL11992356 0.86 ALDH1A1 (0.54) ALDH1A1HSD17B10CASP1MAPK1HIF1A
SCHEMBL1164767 0.86 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP1MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571209-B1 ARYL BORANE COMPOUND, METHOD FOR THE PRODUCTION OF SAME, AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAID COMPOUND NOVALED GMBH (DE) 2023-06-28 EP claimed
EP-3571209-B1 ARYL BORANE COMPOUND, METHOD FOR THE PRODUCTION OF SAME, AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAID COMPOUND NOVALED GMBH (DE) 2023-06-28 EP disclosed
EP-0426717-B1 OPTICAL MEMORY RIEDEL DE HAEN AG (DE) 1996-04-24 EP disclosed
US-5354869-A Fluorescent dyes RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
EP-0426717-A1 OPTICAL MEMORY. RIEDEL DE HAEN AG (DE) 1991-05-15 EP disclosed
WO-1990001480-A1 OPTICAL MEMORY RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1990-02-22 WO disclosed
EP-0039085-A1 Process for increasing the solubility of aromatic systems Langhals, Heinz, Dr. (DE) 1981-11-04 EP disclosed