SCHEMBL3671567

SCHEMBL3671567

Cc1c(C#N)c2ccccn2c1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALDH1A1 P00352 12/20 0.54
KDM4E B2RXH2 10/20 0.54
GAA P10253 6/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
POLB P06746 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 10/20 0.43
MEN1 O00255 9/20 0.43
MAPT P10636 5/20 0.43
MAPK1 P28482 4/20 0.43
HTT P42858 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
NCOA3 Q9Y6Q9 2/20 0.43
PABPC1 P11940 1/20 0.43
CASP3 P42574 1/20 0.43
NCOA1 Q15788 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPC1 O15118 1/20 0.40

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
SCHEMBL25775831 0.80 LMNA (0.64) LMNAALDH1A1KDM4EGAAGLA
SCHEMBL17331499 0.76 ALDH1A1 (0.48) LMNAALDH1A1KDM4EGAAGLA
SCHEMBL4510814 0.76 LMNA (0.59) LMNAALDH1A1KDM4EGAAGLA
SCHEMBL4918574 0.75 KDM4E (0.54) LMNAALDH1A1KDM4EGAAGLA
SCHEMBL3842831 0.73 LMNA (0.56) LMNAALDH1A1KDM4EGAAGLA
SCHEMBL4967007 0.71 ALDH1A1 (0.49) LMNAALDH1A1KDM4EGAAGLA
SCHEMBL16175964 0.70 KDM4E (1.00) LMNAALDH1A1KDM4EGAAGLA
SCHEMBL4910987 0.70 SMN1; SMN2 (0.61) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL3668186 0.70 KDM4E (0.48) LMNAALDH1A1KDM4EGAAGLA
SCHEMBL365090 0.67 ALDH1A1 (0.68) LMNAALDH1A1KDM4EGAAGLA

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-2152674-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-02-17 EP disclosed
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed