SCHEMBL7052069

SCHEMBL7052069

CNC(=O)Nc1cc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)NC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PTPN1 P18031 2/20 0.48
APP P05067 2/20 0.43
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
RAB9A P51151 2/20 0.41
RAF1 P04049 1/20 0.40
MAPK14 Q16539 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL874783 0.84 IKBKB (0.48) IKBKBMEN1KMT2APTPN1APP
SCHEMBL7051768 0.82 IKBKB (0.64) IKBKBPTPN1RAF1MAPK14HPGD
SCHEMBL7055593 0.81 MAPT (0.52) IKBKBMEN1KMT2AAPPRAB9A
SCHEMBL7057485 0.81 IKBKB (0.63) IKBKBPTPN1LMNAALDH1A1SMN1; SMN2
SCHEMBL7053757 0.76 PTPN1 (0.62) IKBKBMEN1KMT2APTPN1RAF1
SCHEMBL874565 0.72 PTPN1 (0.55) MEN1KMT2APTPN1APPCSNK2A2
SCHEMBL7053685 0.71 IKBKB (0.78) IKBKBMEN1KMT2APTPN1LMNA
SCHEMBL7050948 0.70 IKBKB (0.80) IKBKBPTPN1LMNAALDH1A1SMN1; SMN2
SCHEMBL7056469 0.70 IKBKB (0.79) IKBKBPTPN1LMNAALDH1A1SMN1; SMN2
SCHEMBL7057270 0.69 MAPT (0.76) IKBKBMEN1KMT2ALMNAALDH1A1

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
WO-2003028731-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed