SCHEMBL26545113

SCHEMBL26545113

Nc1cc(C2=c3ccccc3=CCC2)cc(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6290262 0.82 CFTR (0.35) ALDH1A1KMT2A
SCHEMBL23239033 0.74 NISCH (0.31)
SCHEMBL15837471 0.72 MAOA (0.67) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL3995431 0.72 MAOA (0.67) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL4267156 0.72 MAOA (0.67) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL16519831 0.70 MAOA (0.73) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL13486729 0.70 HSD17B10 (0.65) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL16519820 0.70 HSD17B10 (0.65) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL18678323 0.70 HSD17B10 (0.65) MAOAHSD17B10CYP3A4TAAR1TDP1
Water SCHEMBL28435182 0.70 MAOA (0.64) MAOAHSD17B10CYP3A4TAAR1TDP1

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
EP-3725793-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-10-11 EP disclosed