SCHEMBL9683737

SCHEMBL9683737

Cn1c(=O)oc2cc(C(=O)c3ccc[nH]3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
HPGD P15428 1/20 0.70
SIGMAR1 Q99720 1/20 0.47
POLB P06746 3/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.42
PKM P14618 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.41
GFER P55789 1/20 0.39
ASAH1 Q13510 1/20 0.38

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 0.82 ALDH1A1 (1.00) ALDH1A1HPGDSIGMAR1POLBTP53
SCHEMBL14565048 0.79 ALDH1A1 (0.77) ALDH1A1HPGDSIGMAR1POLBTP53
SCHEMBL14565012 0.77 ALDH1A1 (0.75) ALDH1A1HPGDSIGMAR1POLBTP53
Hydrochloric Acid SCHEMBL9683732 0.76 ALDH1A1 (0.73) ALDH1A1HPGDSIGMAR1POLBTP53
SCHEMBL474056 0.76 ALDH1A1 (0.73) ALDH1A1HPGDSIGMAR1POLBTP53
SCHEMBL5171751 0.76 ALDH1A1 (0.68) ALDH1A1HPGDPOLBTP53TDP1
SCHEMBL14565009 0.75 ALDH1A1 (0.71) ALDH1A1HPGDSIGMAR1POLBTP53
SCHEMBL9682902 0.75 ALDH1A1 (0.67) ALDH1A1HPGDSIGMAR1POLBTP53
SCHEMBL9683762 0.75 ALDH1A1 (0.76) ALDH1A1HPGDSIGMAR1POLBTP53
SCHEMBL9684601 0.75 ALDH1A1 (0.62) ALDH1A1HPGDSIGMAR1POLBTP53

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