SCHEMBL7678613

SCHEMBL7678613

Cc1ccc2oc(=O)c(C(=O)Oc3cncc(Cl)c3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
F12 P00748 5/20 0.56
MAOB P27338 4/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL18589316 0.87 F2 (0.57) MEN1KMT2AF12MAOBCA12
SCHEMBL7676670 0.87 HTT (0.58) MEN1KMT2AF12KDM4EALDH1A1
SCHEMBL7682058 0.85 KDM4E (0.71) MEN1KMT2AF12KDM4EALDH1A1
SCHEMBL7679148 0.85 F2 (0.69) MEN1KMT2AF12CA12CA2
SCHEMBL7682577 0.84 MEN1 (0.63) MEN1KMT2AF12MAOBCA12
SCHEMBL16864729 0.84 F2 (0.57) MEN1KMT2AF12CA12CA2
SCHEMBL7675600 0.83 F2 (0.53) MEN1KMT2AF12MAOBCA12
Hydrochloric Acid SCHEMBL7675586 0.83 F2 (0.56) MEN1KMT2AF12CA12CA2
SCHEMBL7674633 0.82 MEN1 (0.50) MEN1KMT2AMAOBKDM4EALDH1A1
SCHEMBL18752372 0.81 F2 (0.53) MEN1KMT2AF12CA12CA2

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-6355658-B1 COUMARIN ESTERS WITH ETHER GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-03-12 US disclosed