SCHEMBL7812249

SCHEMBL7812249

CC(=NO)c1ccc2c(ccn2Cc2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.46
PLG P00747 2/20 0.46
GRIN2B Q13224 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
EGFR P00533 1/20 0.40
ERBB4 Q15303 1/20 0.40
PPARG P37231 2/20 0.39
MAOB P27338 1/20 0.39
SRC P12931 1/20 0.39
PTK2 Q05397 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 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
SCHEMBL6840334 0.82 PLAU (0.49) PLAUPLGHDAC8HDAC6HDAC11
SCHEMBL7807789 0.81 HDAC6 (0.52) PLAUPLGHDAC8HDAC6HDAC11
SCHEMBL7815687 0.78 APP (0.47) PLAUPLGGRIN2BHDAC8HDAC6
SCHEMBL7084091 0.76 PLAU (0.50) PLAUPLGGRIN2BEGFRERBB4
SCHEMBL31661458 0.76 PLAU (0.50) PLAUPLGGRIN2BEGFRERBB4
SCHEMBL7803164 0.76 SRC (0.43) PLAUPLGGRIN2BEGFRERBB4
SCHEMBL14093199 0.76 GABRA1 (0.52) GRIN2BEGFRERBB4MAOBSRC
SCHEMBL7809472 0.74 KMT2A (0.60) PLAUGRIN2BHDAC8HDAC6HDAC1
SCHEMBL7811905 0.74 NTSR1 (0.42) GRIN2BHDAC8HDAC6HDAC11EGFR
SCHEMBL7815339 0.73 NPC1 (0.50) GRIN2BHDAC8HDAC6HDAC11EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP disclosed