SCHEMBL9548533

SCHEMBL9548533

O=C(c1cccc2ccccc12)N(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
CDC25B P30305 1/20 0.53
MMP3 P08254 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PTPN1 P18031 1/20 0.49
PLK1 P53350 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL2113799 0.88 ESR1 (0.58) NR4A1NR4A2NR4A3CDC25BMMP3
SCHEMBL11833560 0.87 NR4A1 (0.58) NR4A1NR4A2NR4A3CDC25BMMP3
Hydrochloric Acid SCHEMBL11865419 0.86 NR4A1 (0.56) NR4A1NR4A2NR4A3CDC25BMMP3
SCHEMBL17292708 0.82 ATM (0.47) NR4A1NR4A2NR4A3NPSR1KMT2A
SCHEMBL9303595 0.82 POLB (0.60) NR4A1NR4A2NR4A3CDC25BMMP3
SCHEMBL9001692 0.82 NPSR1 (0.61) NPSR1MEN1KMT2AL3MBTL1MAPT
SCHEMBL353489 0.80 ALDH1A1 (0.53) NR4A1NR4A2NR4A3PTPN1NPSR1
SCHEMBL2230795 0.79 NR4A1 (0.61) NR4A1NR4A2NR4A3CDC25BMMP3
SCHEMBL9716639 0.78 NR4A1 (0.51) NR4A1NR4A2NR4A3CDC25BMMP3
SCHEMBL9480896 0.78 NR4A1 (0.55) NR4A1NR4A2NR4A3CDC25BMMP3

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
JP-5059169-A None JP disclosed
JP-H0559169-A POLYIMIDE RESIN IMAI YOSHIO 1993-03-09 JP disclosed