SCHEMBL437195

SCHEMBL437195

Cc1cc2c(N)c(Br)cnc2cc1Br

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.35
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.31
TERT O14746 1/20 0.31
EGFR P00533 2/20 0.30
ERBB2 P04626 2/20 0.30
PSMB5 P28074 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
SCHEMBL437126 0.91 NOS3 (0.38) UHRF1NOS3NOS1NOS2HTT
SCHEMBL437503 0.84 TNF (0.35) UHRF1
SCHEMBL437293 0.76 ACHE (0.43) NOS3NOS2PSMB5
SCHEMBL442244 0.76 ACHE (0.43) HTTKMT2A
SCHEMBL438598 0.76 ACHE (0.41) HTTKMT2AEGFR
SCHEMBL21358444 0.75 PDPK1 (0.47) EGFRERBB2
SCHEMBL442328 0.73 NR4A2 (0.47) UHRF1NOS3NOS1NOS2KMT2A
SCHEMBL438613 0.72 BCHE (0.45) HTT
SCHEMBL437952 0.72 ACHE (0.45) HTTKMT2A
SCHEMBL437945 0.69 ACHE (0.47) NOS3NOS1NOS2KMT2AEGFR

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