SCHEMBL8549389

SCHEMBL8549389

O=C1Nc2nccc(NCC(O)CO)c2C1=Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.37
KDR P35968 2/20 0.37
APP P05067 1/20 0.35
MAPT P10636 1/20 0.35
SNCA P37840 1/20 0.35
CHEK1 O14757 1/20 0.35
CDK1 P06493 1/20 0.35
BUB1 O43683 1/20 0.35
EP300 Q09472 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
SIRT3 Q9NTG7 2/20 0.33
SIRT5 Q9NXA8 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
CTRC Q99895 1/20 0.33
HPGD P15428 1/20 0.33
CDK4 P11802 1/20 0.32
PRKACA P17612 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
SCHEMBL8551592 0.81 CYP1A2 (0.39) APPMAPTSNCAEP300SIRT2
SCHEMBL8323929 0.74 MAPT (0.55) PDGFRBKDRAPPMAPTSNCA
Hydrochloric Acid SCHEMBL8551775 0.70 MAPT (0.42) APPMAPTSNCAEP300SIRT2
SCHEMBL8551906 0.70 APP (0.40) PDGFRBAPPMAPTSNCAEP300
Trifluoroacetic Acid SCHEMBL8547172 0.69 MAPT (0.37) APPMAPTSNCAEP300SIRT2
SCHEMBL125775 0.67 TOP2B (0.56) MAPTSIRT2SMN1; SMN2HPGD
SCHEMBL8321785 0.65 MAPT (0.56) PDGFRBKDRAPPMAPTSNCA
SCHEMBL2063145 0.64 ITGA4 (0.46) PDGFRBKDRAPPMAPTSNCA
SCHEMBL2063144 0.64 ITGA4 (0.46) PDGFRBKDRAPPMAPTSNCA
SCHEMBL11757022 0.64 HTR1A (0.61)

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-5719135-A TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1998-02-17 US disclosed