SCHEMBL7982929

SCHEMBL7982929

Cc1ccc(-c2nc3cccccc-3c2-c2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
MAPK14 Q16539 3/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
PTGS2 P35354 1/20 0.41
SRC P12931 1/20 0.40

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
SCHEMBL7993062 0.84 MAPK14 (0.50) KDM4ELMNASMN1; SMN2RAB9AADORA2A
SCHEMBL8000327 0.84 MAPK14 (0.57) ADORA2AADORA1MAPK14MAPK13MAPK12
SCHEMBL7996121 0.84 MAPK14 (0.53) TDP1ALDH1A1KDM4EMAPTLMNA
SCHEMBL22898800 0.78 TDP1 (0.66) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28453044 0.78 KDM4E (0.56) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7997046 0.75 MAPK11 (0.54) ADORA2AADORA1MAPK14MAPK13MAPK12
SCHEMBL12339141 0.72 RAB9A (0.58) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7983814 0.72 MAPK14 (0.57) TDP1NPC1RAB9AADORA2AADORA1
SCHEMBL13727890 0.71 TDP1 (0.72) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13726202 0.71 TDP1 (0.60) TDP1ALDH1A1KDM4EMEN1KMT2A

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
WO-2001057018-A1 AZAAZULENE INHIBITORS OF P38 MAP KINASE AND TNF-ALPHA ABBOTT LABORATORIES (US) 2001-08-09 WO claimed
WO-2001057018-A1 AZAAZULENE INHIBITORS OF P38 MAP KINASE AND TNF-ALPHA ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed