SCHEMBL436692

SCHEMBL436692

Cc1ccc(C)c2c(N)c(Cl)cnc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
CD44 P16070 1/20 0.30
PLA2G7 Q13093 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL437482 0.91 CYP3A4 (0.35) POLBKDM4ECYP3A4MAPTMEN1
SCHEMBL436403 0.77 POLB (0.38) POLBKDM4EMAPTMEN1LMNA
SCHEMBL436747 0.75 CYP3A4 (0.32) POLBKDM4ECYP3A4MAPTMEN1
SCHEMBL442075 0.74 HAVCR2 (0.46) POLBKDM4EMAPTMEN1LMNA
SCHEMBL437847 0.74 CCR1 (0.42) POLBKDM4ECYP3A4MAPTLMNA
SCHEMBL437555 0.74 HAVCR2 (0.38) CYP3A4HAVCR2DYRK1A
SCHEMBL438132 0.72 GABRP (0.49) POLBKDM4EMAPTMEN1LMNA
SCHEMBL442158 0.71 HAVCR2 (0.54) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL439646 0.69 HAVCR2 (0.32) MAPK1HAVCR2DYRK1A
SCHEMBL22681143 0.69 CCR1 (0.54) MEN1KMT2ACCR1CCR5CCR8

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed