SCHEMBL8104093

SCHEMBL8104093

Cc1nsc(NC(=O)Cc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 1/20 0.49
MAPK8 P45983 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43

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
SCHEMBL6246751 0.85 KMT2A (0.45) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL8094492 0.85 MAPK8 (0.41) ALDH1A1HTTMAPK8GAA
SCHEMBL7088107 0.79 ROCK2 (0.58) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL7232438 0.78 GLS (0.43) L3MBTL1ALDH1A1MAPTMAPK8POLB
SCHEMBL7231664 0.78 KMT2A (0.41) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL7998311 0.77 GLS (0.44) L3MBTL1ALDH1A1MAPTMAPK8POLB
SCHEMBL7994626 0.77 GLS (0.42) L3MBTL1ALDH1A1MAPTMAPK8POLB
SCHEMBL8094494 0.76 MAPK8 (0.44) ALDH1A1MAPTMAPK8LMNARAB9A
SCHEMBL8663662 0.73 ALDH1A1 (0.47) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL4290852 0.71 ALDH1A1 (0.44) KMT2AL3MBTL1ALDH1A1MEN1MAPT

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
EP-0991631-A1 SUBSTITUTED AMINOHETEROCYCLYLAMIDES Bayer Aktiengesellschaft (DE) 2000-04-12 EP disclosed
WO-1999000375-A1 SUBSTITUTED AMINOHETEROCYCLYLAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-07 WO disclosed