SCHEMBL9682902

SCHEMBL9682902

Cn1c(=O)oc2cc(C(=O)c3ccco3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
HPGD P15428 1/20 0.67
KMT2A Q03164 4/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
PKM P14618 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
SIGMAR1 Q99720 1/20 0.46
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL8700563 0.81 ALDH1A1 (1.00) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL474056 0.77 ALDH1A1 (0.73) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL5171751 0.77 ALDH1A1 (0.68) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL14565048 0.77 ALDH1A1 (0.77) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL9683762 0.76 ALDH1A1 (0.76) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL2818547 0.76 ALDH1A1 (0.67) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL14565012 0.76 ALDH1A1 (0.75) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL29615085 0.75 HPGD (0.66) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL9683737 0.75 ALDH1A1 (0.70) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL9470369 0.75 ALDH1A1 (0.49) ALDH1A1HPGDKMT2APOLBMEN1

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-5147883-A Antiischemic, stroke ADIR ET COMPAGNIE (FR) 1992-09-15 US disclosed