SCHEMBL436963

SCHEMBL436963

COc1cc(Cl)cc2c(N)c(Br)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.38
TNF P01375 1/20 0.38
LITAF Q99732 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NSD2 O96028 1/20 0.35
CASP6 P55212 1/20 0.35
G6PD P11413 1/20 0.35
AURKA O14965 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NQO2 P16083 2/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
SRC P12931 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
SCHEMBL441668 0.84 GAA (0.41) PDE5ATNFLITAFMAPTG6PD
SCHEMBL441685 0.80 ACHE (0.35) MAPTPOLBALDH1A1KMT2AKDM4E
SCHEMBL438876 0.79 BCHE (0.43) MAPTALDH1A1KMT2AKDM4E
SCHEMBL435849 0.75 HTR1A (0.44) NSD2CASP6EP300
SCHEMBL20292984 0.75 NSD2 (0.40) TNFLITAFMAPTNSD2CASP6
SCHEMBL436999 0.73 NQO2 (0.36) MAPTNPSR1POLBL3MBTL1NSD2
SCHEMBL21358444 0.71 PDPK1 (0.47) MAPTNPSR1SRCPDPK1CSF1R
SCHEMBL16047636 0.71 MAPT (0.53) MAPTNPSR1POLBL3MBTL1ALDH1A1
SCHEMBL30254383 0.71 MAPT (0.53) MAPTNPSR1POLBL3MBTL1ALDH1A1
SCHEMBL436601 0.70 KMT2A (0.33) POLBALDH1A1MEN1KMT2ANPC1

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