SCHEMBL6544707

SCHEMBL6544707

NCc1cc2cc3ccc(=O)oc3cc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.56
CA9 Q16790 10/20 0.56
CA1 P00915 6/20 0.56
CA7 P43166 5/20 0.56
CA4 P22748 4/20 0.56
CA5A P35218 4/20 0.56
CA14 Q9ULX7 4/20 0.56
CA5B Q9Y2D0 4/20 0.56
CA2 P00918 3/20 0.56
CA3 P07451 3/20 0.56
CA6 P23280 3/20 0.56
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 4/20 0.54
ACHE P22303 3/20 0.54
CYP3A4 P08684 2/20 0.54
MAOA P21397 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL7947099 0.83 KDM4E (0.54) CA12CA9CA1CA7CA4
SCHEMBL18788615 0.80 ACHE (0.55) CA12CA9CA1CA7CA4
SCHEMBL7826982 0.79 KDM4E (0.50) CA12CA9CA1CA7CA4
SCHEMBL295803 0.73 CA12 (0.77) CA12CA9CA1CA7CA4
SCHEMBL11194490 0.73 GAA (0.64) CA12CA9CA1CA7CA4
SCHEMBL17221164 0.73 LOXL2 (0.58) CA12CA9CA1CA7CA4
SCHEMBL28776384 0.71 CA12 (1.00) CA12CA9CA1CA7CA4
Psoralen SCHEMBL17835 0.71 MAOA (1.00) CA12CA9CA1CA7KDM4E
Psoralen SCHEMBL2684633 0.71 MAOA (1.00) CA12CA9CA1CA7KDM4E
Psoralen SCHEMBL29503678 0.71 MAOA (1.00) CA12CA9CA1CA7KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377274-A2 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS QLT Inc. (CA) 2004-01-07 EP disclosed
WO-2002083097-A2 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS QLT INC. (CA) 2002-10-24 WO disclosed