SCHEMBL6625483

SCHEMBL6625483

COc1ccc(-c2c[nH]c(SC[C]3C=CC=CN3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ TP53 P04637 2/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL6625834 0.84 MGAM (0.34) LMNAHPGDTSHRHSD17B10
SCHEMBL6628176 0.84 KMT2A (0.35) MEN1KMT2AKDM4EHTTTP53
SCHEMBL9431441 0.71 CYP2C19 (0.44) MEN1KMT2AKDM4EHTTTP53
SCHEMBL6625487 0.70 TP53 (0.40) MEN1KMT2AKDM4EHTTTP53
SCHEMBL12735602 0.68 PDGFRB (0.50) MEN1KMT2AKDM4EPDGFRBNPC1
SCHEMBL11048397 0.67 PDGFRB (0.47) MEN1KMT2AKDM4EPDGFRBNPC1
SCHEMBL10886759 0.66 PDGFRB (0.46) KDM4EPDGFRBNPC1RAB9ACASP3
SCHEMBL11771726 0.65 KDM4E (0.50) KDM4EPDGFRBNPC1RAB9ACASP3
SCHEMBL9255839 0.64 MAPT (0.43) MEN1KMT2AKDM4EPDGFRBNPC1
SCHEMBL6598963 0.63 PDGFRB (0.49) KDM4ETP53PDGFRBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004525942-A — — 2004-08-26 — — JP claimed
US-20040116495-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-06-17 — — US claimed
EP-1379241-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 — — EP claimed
WO-2002078699-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 — — WO claimed
US-20040116495-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-06-17 — — US disclosed
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