SCHEMBL437599

SCHEMBL437599

Cc1ccc2c(N)c(Br)cnc2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.32
DHODH Q02127 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
UHRF1 Q96T88 1/20 0.31
HAVCR2 Q8TDQ0 1/20 0.30
MEN1 O00255 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
SCHEMBL439739 0.87 CCR1 (0.39) CCR1CCR5CCR8KMT2AMAPT
SCHEMBL440009 0.83 HAVCR2 (0.38) CCR1CCR5CCR8KMT2AMAPT
SCHEMBL437847 0.79 CCR1 (0.42) CCR1CCR5CCR8NOS3NOS2
SCHEMBL441701 0.79 ALDH1A1 (0.43) LMNAPOLBKMT2AMAPTNPC1
SCHEMBL438308 0.75 HAVCR2 (0.57) CCR1CCR5CCR8POLBDHODH
SCHEMBL436403 0.74 POLB (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL13539131 0.72 CCR1 (0.78) CCR1CCR5CCR8NOS3NOS2
SCHEMBL441974 0.72 HAVCR2 (0.38) CCR1CCR5CCR8KMT2AMAPT
SCHEMBL442133 0.72 BACE1 (0.41) KMT2AMAPTALDH1A1HAVCR2MEN1
SCHEMBL435828 0.71 ACHE (0.39) CCR1CCR5CCR8NOS3NOS2

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