SCHEMBL14866754

SCHEMBL14866754

CCOC(=O)Cc1csc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(NC(C)CC)c5ccccc45)c4ccccc34)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.43
LTC4S Q16873 1/20 0.43
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MPI P34949 1/20 0.41
CACNA1B Q00975 1/20 0.41
RUNX1 Q01196 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
SCHEMBL19648795 0.89 LMNA (0.45) SHMT2LTC4SALDH1A1SMN1; SMN2LMNA
SCHEMBL14866916 0.82 MEN1 (0.35) SHMT2ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL14866755 0.81 CA12 (0.35) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL12069809 0.79 RAB9A (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14866658 0.77 MEN1 (0.33) MEN1KMT2A
SCHEMBL14871050 0.77 TLR7 (0.34) MAPTMEN1KMT2APOLBTDP1
SCHEMBL14866918 0.77 MEN1 (0.32) SMN1; SMN2MAPTHTTTP53MEN1
SCHEMBL19648809 0.76 LMNA (0.52) SHMT2LTC4SALDH1A1SMN1; SMN2LMNA
SCHEMBL12071127 0.75 LMNA (0.32) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL12069812 0.75 MEN1 (0.37) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9057020-B2 Black dichroic dye BASF SE (DE) 2015-06-16 US disclosed
US-9057020-B2 Black dichroic dye BASF SE (DE) 2015-06-16 US disclosed
US-20130092874-A1 BLACK DICHROIC DYE BASF SE (DE) 2013-04-18 US disclosed
US-20130092874-A1 BLACK DICHROIC DYE BASF SE (DE) 2013-04-18 US disclosed