SCHEMBL9720913

SCHEMBL9720913

S=C1c2cccc3cccc(c23)N1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
HPGD P15428 4/20 0.51
LMNA P02545 4/20 0.51
UBE2N P61088 3/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 9/20 0.45
ALDH2 P05091 1/20 0.45
CHRM1 P11229 1/20 0.45
CES1 P23141 1/20 0.45
ALDH3A1 P30838 1/20 0.45
KDM4E B2RXH2 5/20 0.45
NSD2 O96028 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP1 P29466 1/20 0.44
MPI P34949 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL9720892 0.88 UBE2N (0.52) NPSR1HPGDLMNAUBE2NATM
SCHEMBL9720959 0.86 LMNA (0.51) NPSR1HPGDLMNAUBE2NATM
SCHEMBL9720885 0.83 KDM4E (0.61) HPGDLMNAUBE2NATML3MBTL1
SCHEMBL9720871 0.82 ALDH1A1 (0.50) NPSR1HPGDUBE2NL3MBTL1TDP1
SCHEMBL9720966 0.81 NPSR1 (0.79) NPSR1HPGDLMNAUBE2NATM
SCHEMBL9721010 0.81 CMA1 (0.52) HPGDUBE2NATML3MBTL1TDP1
SCHEMBL9720883 0.81 UBE2N (0.50) HPGDLMNAUBE2NATML3MBTL1
SCHEMBL9720907 0.79 L3MBTL1 (0.51) NPSR1HPGDLMNAL3MBTL1TDP1
SCHEMBL9720888 0.78 ALDH1A1 (0.47) HPGDLMNAUBE2NATML3MBTL1
SCHEMBL9721061 0.78 NPSR1 (0.49) NPSR1HPGDLMNAUBE2NATM

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
US-5079247-A N1 -substituted benz(cd)indol-2-imine compounds as cardiovascular agents AMERICAN CYANAMID COMPANY (US) 1992-01-07 US disclosed