SCHEMBL6205611

SCHEMBL6205611

O=C1[N]c2cc(Nc3ccccc3)c(CCc3ccccc3)cc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
BLM P54132 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
EGFR P00533 2/20 0.38
SRC P12931 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RGS12 O14924 1/20 0.38
GMNN O75496 1/20 0.38
PRKD3 O94806 1/20 0.38
LMNA P02545 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PRKCA P17252 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL6203291 0.89 EGFR (0.39) MEN1KMT2AALDH1A1BLMTDP1
SCHEMBL6202905 0.82 LTA4H (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL6205452 0.82 EGFR (0.36) MEN1KMT2AALDH1A1BLMTDP1
SCHEMBL6202957 0.81 ALDH1A1 (0.35) MEN1KMT2AALDH1A1BLMTDP1
SCHEMBL6204330 0.81 CNR1 (0.39) MEN1KMT2AALDH1A1BLMTDP1
SCHEMBL6203101 0.81 NPC1 (0.38) MEN1KMT2AALDH1A1BLMTDP1
SCHEMBL6205665 0.80 EGFR (0.36) MEN1KMT2AALDH1A1BLMTDP1
SCHEMBL6205378 0.79 KMT2A (0.40) MEN1KMT2AALDH1A1BLMTDP1
SCHEMBL6204133 0.79 FPR1 (0.43) MEN1KMT2AEGFRSRCCYP3A4
SCHEMBL6202823 0.78 EGFR (0.42) MEN1KMT2AALDH1A1BLMTDP1

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