SCHEMBL5829385

SCHEMBL5829385

O=C(O)c1nn(-c2ccc(F)cc2)cc1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.54
BRAF P15056 2/20 0.54
KDR P35968 2/20 0.54
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 5/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PTGS2 P35354 1/20 0.46
MAPK14 Q16539 5/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CSNK1D P48730 2/20 0.43
MAPK13 O15264 1/20 0.43
CSNK1E P49674 1/20 0.43
MAPK12 P53778 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
SCHEMBL4022996 0.85 KMT2A (0.51) SRCBRAFKDRKMT2AKDM4E
SCHEMBL6268028 0.77 CYP2C9 (0.54) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL28191530 0.76 SMN1; SMN2 (0.50) BRAFKMT2AKDM4ELMNAMAPT
SCHEMBL398111 0.75 KMT2A (0.59) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL11084830 0.73 MAPT (0.46) SRCBRAFKDRKMT2AKDM4E
SCHEMBL11403233 0.73 KMT2A (0.52) SRCBRAFKDRKMT2AKDM4E
SCHEMBL16578381 0.72 KMT2A (0.60) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL2560074 0.72 KMT2A (0.56) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL15072191 0.72 ALDH1A1 (0.72) SRCBRAFKDRKMT2AKDM4E
SCHEMBL30701191 0.72 NPC1 (0.73) KMT2AKDM4ELMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed