SCHEMBL14533015

SCHEMBL14533015

CNC1(c2nc3cc(C)c(/C=C/C(=O)O)cc3n2C)CC[C@H]1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.33
HCRTR2 O43614 6/20 0.33
IDH1 O75874 1/20 0.31
MEN1 O00255 1/20 0.31
TDP2 O95551 1/20 0.31
NGF P01138 1/20 0.31
NTRK1 P04629 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 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
SCHEMBL14532958 0.89 KDM4E (0.39) HCRTR1HCRTR2
SCHEMBL14533060 0.87 KDM4E (0.30)
SCHEMBL14533061 0.87 KDM4E (0.39) HCRTR1HCRTR2
SCHEMBL14532961 0.86 KDM4E (0.41) IDH1MEN1KMT2A
SCHEMBL14532895 0.86 HDAC1 (0.41) IDH1
SCHEMBL14532891 0.84 KDM4E (0.41) IDH1MEN1KMT2A
SCHEMBL14532966 0.84 HDAC1 (0.44) IDH1
SCHEMBL14532894 0.82 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL12870976 0.77 HCRTR1 (0.35) HCRTR1HCRTR2IDH1MEN1TDP2
SCHEMBL14532959 0.77 IP6K1 (0.38) IDH1MAPTKMT2A

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-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed