SCHEMBL9788337

SCHEMBL9788337

O=C(O)c1c(Cc2ccccc2)n(-c2ccccc2)ncc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.50
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPK14 Q16539 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
RIPK2 O43353 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39

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
SCHEMBL9788299 0.91 MAPK14 (0.46) NR4A3POLBSMN1; SMN2MAPK14MAPT
SCHEMBL9788273 0.84 NR4A3 (0.67) NR4A3KEAP1NFE2L2HPGDPOLB
SCHEMBL9788253 0.82 NR4A3 (0.56) NR4A3KEAP1NFE2L2POLBMAPK14
SCHEMBL9788259 0.81 CCNE2 (0.41) HPGDPOLBSMN1; SMN2MAPK14L3MBTL1
SCHEMBL9788244 0.80 NR4A3 (0.53) NR4A3KEAP1NFE2L2POLBSMN1; SMN2
SCHEMBL9788312 0.77 RAB9A (0.40) POLBMAPTL3MBTL1MEN1KMT2A
SCHEMBL10712738 0.76 POLB (0.46) HPGDPOLBSMN1; SMN2MAPTMEN1
SCHEMBL9788240 0.76 MAPK1 (0.58) NR4A3HPGDSMN1; SMN2MAPTMEN1
SCHEMBL9788264 0.75 CYP2C9 (0.57) NR4A3KEAP1NFE2L2POLBSMN1; SMN2
SCHEMBL9005834 0.73 NR4A3 (0.52) NR4A3TP53POLBSMN1; SMN2MAPT

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
US-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 US disclosed