SCHEMBL436403

SCHEMBL436403

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
UHRF1 Q96T88 1/20 0.32
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
HTT P42858 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
SCHEMBL436747 0.86 CYP3A4 (0.32) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL436692 0.77 POLB (0.38) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL437599 0.74 CCR1 (0.42) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL441701 0.74 ALDH1A1 (0.43) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL438132 0.72 GABRP (0.49) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL439672 0.69 DYRK1A (0.35) DYRK1A
SCHEMBL439003 0.69 TET2 (0.34) DYRK1A
SCHEMBL22681143 0.69 CCR1 (0.54) MEN1KMT2ACCR1CCR5CCR8
SCHEMBL437482 0.68 CYP3A4 (0.35) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL439739 0.68 CCR1 (0.39) MAPTMEN1KMT2ACCR1CCR5

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