SCHEMBL11078520

SCHEMBL11078520

COc1ccc(NC(C)=O)cc1NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RORC P51449 1/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.48
USP2 O75604 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL21663537 0.85 NPSR1 (0.53) L3MBTL1NPSR1MEN1KMT2AALDH1A1
SCHEMBL10805666 0.82 HDAC8 (0.59) L3MBTL1MEN1KMT2AALDH1A1HTT
SCHEMBL2088259 0.80 ALDH1A1 (0.64) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL6354556 0.77 ALDH1A1 (0.59) L3MBTL1NPSR1MEN1KMT2AALDH1A1
SCHEMBL9768609 0.76 ALDH1A1 (0.57) L3MBTL1NPSR1MEN1KMT2AALDH1A1
SCHEMBL10891352 0.75 PKM (0.56) L3MBTL1MEN1KMT2AALDH1A1POLB
SCHEMBL21663540 0.75 L3MBTL1 (0.54) L3MBTL1NPSR1MEN1KMT2AALDH1A1
SCHEMBL16736664 0.74 ALOX15 (0.51) RORCALDH1A1MAPTHTTGAA
SCHEMBL8651201 0.73 ALDH1A1 (0.55) L3MBTL1NPSR1MEN1KMT2ARORC
SCHEMBL30492996 0.73 SMN1; SMN2 (0.68) L3MBTL1MEN1KMT2AALDH1A1MAPT

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
US-4487719-A Azo dyes from substituted 3-amino-pyridines with aniline, tetrahydroquinoline and benzomorpholine couplers EASTMAN KODAK COMPANY (US) 1984-12-11 US disclosed