SCHEMBL17833264

SCHEMBL17833264

Cc1cccc2c(NCCCN(C)C)nc(-c3ccc4[nH]ncc4c3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.56
ROCK1 Q13464 6/20 0.56
PKN2 Q16513 2/20 0.53
RAD52 P43351 4/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 3/20 0.46
RXFP1 Q9HBX9 1/20 0.44
PRKCH P24723 1/20 0.43
PRKCQ Q04759 1/20 0.43
PKN1 Q16512 1/20 0.43
TRPA1 O75762 1/20 0.42
SMARCA2 P51531 1/20 0.41
TLR9 Q9NR96 1/20 0.41
SYK P43405 1/20 0.39
TOP2A P11388 1/20 0.39
EGFR P00533 1/20 0.39
S1PR1 P21453 1/20 0.39
LATS1 O95835 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
SCHEMBL17829568 0.84 RAD52 (0.59) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829800 0.83 RAD52 (0.58) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829798 0.82 POLB (0.53) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829886 0.81 POLB (0.55) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17833229 0.80 RAD52 (0.50) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829861 0.80 RAD52 (0.59) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829585 0.79 RAD52 (0.55) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829817 0.79 RAD52 (0.55) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17830139 0.79 RAD52 (0.57) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829819 0.78 RAD52 (0.53) RAD52KMT2AALDH1A1MAPK1POLB

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
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed