SCHEMBL6943002

SCHEMBL6943002

Cc1cn2c(=O)nc1NCC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.41
ALOX5 P09917 2/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
UHRF1 Q96T88 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIM1 P11309 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
PIM3 Q86V86 1/20 0.31

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
SCHEMBL29826874 0.67 ALDH1A1 (0.43) PARP1ALOX5ALDH1A1GAAKDM4E
SCHEMBL27140846 0.66 PARP1 (0.42) PARP1ALOX5ALDH1A1GAAPIM1
SCHEMBL27141430 0.66 PARP1 (0.49) PARP1ALDH1A1GAAMEN1KMT2A
SCHEMBL24879793 0.66 PARP1 (0.42) PARP1ALOX5ALDH1A1GAAPIM1
SCHEMBL12241454 0.63 ALDH1A1 (0.56) PARP1ALDH1A1GAAMEN1KMT2A
SCHEMBL20153300 0.62
SCHEMBL14663692 0.61 ADORA3 (0.42) PARP1ALDH1A1ADORA3MEN1KMT2A
SCHEMBL24880333 0.61 PARP1 (0.38) PARP1ALOX5ALDH1A1GAAPIM1
SCHEMBL890356 0.61 HTR2C (0.33) PARP1
SCHEMBL13589780 0.58 ALDH1A1 (0.50) PARP1ALDH1A1GAAMEN1KMT2A

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
WO-2003104391-A2 ANTIBACTERIAL TARGETS IN ALLOIOCOCCUS OTITIDIS WYETH HOLDINGS CORPORATION (US) 2003-12-18 WO disclosed
US-6589738-B1 Expressing a sublethal level of an antisense nucleic acid complementary to a nucleic acid encoding said gene to reduce its activity; drug screening; antibiotics ELITRA PHARMACEUTICALS, INC. 2003-07-08 US disclosed