SCHEMBL7965647

SCHEMBL7965647

C=CCc1ccccc1Nn1ccc(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CRBN Q96SW2 4/20 0.36
DDB1 Q16531 1/20 0.36
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
DUT P33316 6/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7965650 0.70 ADRA2B (0.40) ADRA2BADRA2CLMNAHTTPOLB
SCHEMBL3752207 0.70 CRBN (0.40) CRBNDDB1LMNADUTPKM
SCHEMBL176287 0.70 ADRA2C (0.47) ADRA2BADRA2CLMNAMAPTMAPK1
SCHEMBL5907658 0.70 CRBN (0.52) CRBNDDB1DUTPKMHCAR1
SCHEMBL11034063 0.66 ADRA2B (0.44) ADRA2BADRA2CLMNANPC1MAPT
SCHEMBL1667781 0.66 MEN1 (0.39) ADRA2BADRA2CLMNAHTTPOLB
SCHEMBL11667981 0.65 ADRA2C (0.43) ADRA2BADRA2CLMNAPOLBMAPT
SCHEMBL9795634 0.65 ADRA2C (0.43) ADRA2BADRA2CLMNAPOLBMAPT
SCHEMBL30729429 0.65 MAPT (0.45) ADRA2BADRA2CLMNAHTTMAPT
SCHEMBL6046931 0.65 MAPT (0.45) ADRA2BADRA2CLMNAHTTMAPT

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-6177437-B1 VIRICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER 2001-01-23 US disclosed