SCHEMBL6976057

SCHEMBL6976057

COc1ccccc1Nc1n[nH]c(Sc2sccc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
ALDH1A1 P00352 7/20 0.45
GAA P10253 5/20 0.45
HPGD P15428 1/20 0.45
EGFR P00533 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 4/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL7089876 0.87 SMN1; SMN2 (0.44) SMN1; SMN2PKMRAB9ANFKB1NFKB2
SCHEMBL7084013 0.83 ALDH1A1 (0.48) MAPTALDH1A1GAAHPGDEGFR
SCHEMBL6975744 0.82 METAP2 (0.42) SMN1; SMN2NPC1NPSR1LMNAHTT
SCHEMBL5378877 0.82 ALDH1A1 (0.43) MAPTALDH1A1GAAHPGDEGFR
SCHEMBL7088057 0.80 EGFR (0.44) MAPTALDH1A1GAAHPGDEGFR
SCHEMBL6980038 0.80 ALDH1A1 (0.45) MAPTALDH1A1GAAHPGDEGFR
SCHEMBL7085330 0.77 LRRK2 (0.43) MAPTALDH1A1SMN1; SMN2RAB9AMAPK1
SCHEMBL6975691 0.77 SYK (0.41) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL7084060 0.76 ALDH1A1 (0.44) MAPTALDH1A1GAAHPGDEGFR
SCHEMBL7090424 0.76 ALDH1A1 (0.49) MAPTALDH1A1GAAHPGDEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO disclosed