SCHEMBL28815684

SCHEMBL28815684

CC(Br)c1ccccc1-c1cncs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TBXAS1 P24557 1/20 0.36
HDAC4 P56524 1/20 0.36
DYRK1A Q13627 2/20 0.33
IMPDH2 P12268 1/20 0.33
PIM1 P11309 2/20 0.33
HRH1 P35367 1/20 0.33
CD38 P28907 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15577032 0.86 IDO1 (0.42) IDO1TBXAS1HDAC4DYRK1AIMPDH2
SCHEMBL10249258 0.82 TSHR (0.44) IDO1TBXAS1HDAC4DYRK1AIMPDH2
SCHEMBL10192320 0.81 IDO1 (0.39) IDO1TBXAS1HDAC4DYRK1AIMPDH2
SCHEMBL28231411 0.73 MAPT (0.43) IDO1TBXAS1DYRK1AIMPDH2PIM1
SCHEMBL16646852 0.73 KDM4E (0.44) IDO1TBXAS1DYRK1AIMPDH2CD38
SCHEMBL27913317 0.72 HTT (0.41) IDO1TBXAS1DYRK1AIMPDH2PIM1
SCHEMBL20150108 0.72 AAK1 (0.37) IDO1HDAC4IMPDH2AAK1TSHR
SCHEMBL26259995 0.70 TBXAS1 (0.44) IDO1TBXAS1DYRK1AIMPDH2PIM1
SCHEMBL26259982 0.70 TBXAS1 (0.47) IDO1TBXAS1DYRK1AIMPDH2PIM1
SCHEMBL17643659 0.69 IDO1 (0.42) IDO1TBXAS1DYRK1AIMPDH2CD38

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
CN-103221047-B Compounds and methods TEMPERO PHARMACEUTICALS INC 2014-12-17 CN disclosed