SCHEMBL17833229

SCHEMBL17833229

Cc1cccc2c(NCCCN(C)C)nc(-c3ccc4c(cnn4C)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 3/20 0.46
RXFP1 Q9HBX9 1/20 0.43
SMARCA2 P51531 1/20 0.41
TOP2A P11388 2/20 0.41
TLR9 Q9NR96 2/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SYK P43405 1/20 0.39
LCK P06239 1/20 0.38
TGFBR1 P36897 2/20 0.38
MAPK14 Q16539 1/20 0.38
KDM1A O60341 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL17829683 0.89 KDM1A (0.40) RAD52KMT2AALDH1A1POLBKDM4E
SCHEMBL17829568 0.83 RAD52 (0.59) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829701 0.83 RAD52 (0.43) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829800 0.82 RAD52 (0.58) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829798 0.81 POLB (0.53) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829886 0.81 POLB (0.55) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17833264 0.80 ROCK2 (0.56) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829861 0.79 RAD52 (0.59) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829585 0.78 RAD52 (0.55) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829817 0.78 RAD52 (0.55) 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