SCHEMBL15549306

SCHEMBL15549306

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
FABP4 P15090 3/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HTR6 P50406 2/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FABP3 P05413 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CFTR P13569 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL15548005 0.92 FABP4 (0.57) CA1CA2FABP4PTGS1PTGS2
SCHEMBL15547528 0.82 ALDH1A1 (0.43) MAPTKMT2APTGDR2SMN1; SMN2MEN1
SCHEMBL3853296 0.77 CA1 (0.59) CA1CA2FABP4PTGS1PTGS2
SCHEMBL15550226 0.75 ALDH1A1 (0.43) FABP4MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7464584 0.75 CA1 (0.67) CA1CA2FABP4PTGS1PTGS2
SCHEMBL3859121 0.74 HTR6 (0.67) CA1CA2FABP4PTGS1PTGS2
SCHEMBL3857256 0.74 CA1 (0.65) CA1CA2FABP4PTGS1PTGS2
SCHEMBL6045346 0.73 CA1 (0.94) CA1CA2FABP4HTR6HDAC1
SCHEMBL3852363 0.72 FABP4 (0.53) CA1CA2FABP4PTGS1PTGS2
SCHEMBL3860461 0.70 HTR6 (0.50) CA1CA2FABP4PTGS1PTGS2

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-2014014180-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-01-23 WO disclosed
WO-2014014180-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-01-23 WO disclosed