SCHEMBL6202957

SCHEMBL6202957

O=C1[N]c2cc(Nc3ccccc3)c(Cc3cc(Cl)cc(Cl)c3)cc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
EGFR P00533 2/20 0.35
SRC P12931 2/20 0.35
RGS12 O14924 1/20 0.35
GMNN O75496 1/20 0.35
PRKD3 O94806 1/20 0.35
LMNA P02545 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
PRKCA P17252 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL6205452 0.91 EGFR (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6204330 0.91 CNR1 (0.39) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6203291 0.89 EGFR (0.39) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6205378 0.87 KMT2A (0.40) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6204202 0.84 CXCR2 (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6203101 0.84 NPC1 (0.38) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6202823 0.84 EGFR (0.42) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6202905 0.82 LTA4H (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6204448 0.82 MAPT (0.34) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6204891 0.81 MAPT (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed