SCHEMBL7084013

SCHEMBL7084013

COc1ccccc1Nc1n[nH]c(Sc2cccs2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 7/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 4/20 0.46
NPC1 O15118 4/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.45
EGFR P00533 1/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 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
SCHEMBL7080341 0.86 MAPT (0.52) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL6976057 0.83 MAPT (0.45) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL6980038 0.82 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL7088057 0.82 EGFR (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL5376455 0.82 METAP2 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL7090424 0.81 ALDH1A1 (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL7084060 0.81 ALDH1A1 (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL7083896 0.81 METAP2 (0.43) ALDH1A1MAPTKMT2AMEN1ALOX15
SCHEMBL6615397 0.81 METAP2 (0.49) ALDH1A1KMT2AMEN1NPC1EGFR
SCHEMBL7085264 0.80 ADRA2A (0.44) ALDH1A1MAPTRAB9AKMT2AMEN1

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-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