SCHEMBL8645977

SCHEMBL8645977

CCC(=O)C(NC(=O)c1ccc(C=NN)cc1)(Oc1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESRRG P62508 2/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 4/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 6/20 0.36
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
Hydrochloric Acid SCHEMBL8644811 0.99 POLB (0.36) POLBCTDSP1TDP1ESRRGRAB9A
Trifluoroacetic Acid SCHEMBL8643486 0.96 CTDSP1 (0.35) POLBCTDSP1TDP1ESRRGRAB9A
SCHEMBL8644211 0.88 MAPT (0.36) POLBCTDSP1TDP1ESRRGRAB9A
SCHEMBL8648975 0.88 MAPT (0.35) POLBCTDSP1TDP1ESRRGRAB9A
Hydrochloric Acid SCHEMBL8643305 0.88 MAPT (0.35) POLBCTDSP1TDP1ESRRGRAB9A
SCHEMBL8646015 0.86 MEN1 (0.39) POLBCTDSP1TDP1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL8644126 0.86 MAPT (0.35) POLBCTDSP1TDP1ESRRGRAB9A
SCHEMBL8643880 0.86 MEN1 (0.34) POLBCTDSP1TDP1ESRRGRAB9A
Hydrochloric Acid SCHEMBL8647775 0.85 MEN1 (0.38) POLBCTDSP1TDP1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8643119 0.85 ALDH1A1 (0.35) POLBCTDSP1TDP1ESRRGRAB9A

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-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed