SCHEMBL9720920

SCHEMBL9720920

CCN(CC)CCN1C(=S)c2cccc3cccc1c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
TNNI3 P19429 1/20 0.47
STAT6 P42226 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 2/20 0.47
MPI P34949 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL11374786 0.92 ALDH1A1 (0.44) POLBMEN1MAPK1KMT2ACYP1A2
SCHEMBL11373888 0.85 HEXA (0.57) POLBMEN1MAPK1KMT2AALDH1A1
SCHEMBL9720969 0.83 ALDH1A1 (0.66) POLBMEN1MAPK1KMT2ACYP1A2
SCHEMBL11369587 0.80 POLB (0.59) POLBMEN1MAPK1KMT2ACYP1A2
SCHEMBL9720888 0.80 ALDH1A1 (0.47) POLBMEN1MAPK1KMT2AALDH1A1
SCHEMBL9720814 0.78 CDC25A (0.48) MEN1MAPK1KMT2AALDH1A1HPGD
SCHEMBL11377100 0.75 ALDH1A1 (0.62) POLBMEN1MAPK1KMT2ACYP1A2
SCHEMBL11369583 0.75 POLB (0.44) POLBMEN1MAPK1KMT2ACYP1A2
SCHEMBL11369586 0.75 POLB (0.44) POLBMEN1MAPK1KMT2ACYP1A2
SCHEMBL6263721 0.75 POLB (0.76) POLBMEN1MAPK1KMT2ACYP1A2

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
US-5079247-A N1 -substituted benz(cd)indol-2-imine compounds as cardiovascular agents AMERICAN CYANAMID COMPANY (US) 1992-01-07 US disclosed
US-4261896-A INDIBITORS OF PLATELET AGGREGATION AMERICAN CYANAMID COMPANY (US) 1981-04-14 US disclosed