SCHEMBL10464925

SCHEMBL10464925

NCc1ccc2cc(CC(=O)Cl)c(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
POLB P06746 1/20 0.46
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MMP2 P08253 1/20 0.36

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
SCHEMBL4150207 0.87 CA12 (0.48) CA12CA9CA1CA2CA3
SCHEMBL10845026 0.74 CA12 (0.50) CA12CA9CA1CA2CA3
SCHEMBL29089325 0.70 POLB (0.47) POLBAKR1B10AKR1B1KMT2AMEN1
SCHEMBL13071170 0.69 POLB (0.51) CA12CA9CA2CA3CA4
SCHEMBL8408030 0.69 NPC1 (0.58) CA12CA9CA1CA3CA4
SCHEMBL295803 0.69 CA12 (0.77) CA12CA9CA1CA2CA3
SCHEMBL5464496 0.69 GPR55 (0.61) CA12CA9CA1CA2CA3
SCHEMBL2274941 0.68 POLB (0.57) CA12CA9CA1POLBAKR1B1
SCHEMBL30002655 0.68 POLB (0.57) CA12CA9CA1POLBAKR1B1
SCHEMBL11128154 0.67 NPC1 (0.55) CA12CA9CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956480-A 7-amino-4-methyl-coumarin-3-carboxyalkyl derivates and fluorescent conjugates thereof BIOCARB AB (SE) 1990-09-11 US disclosed
EP-0277139-A1 7-AMINO-4-METHYL-COUMARIN-3-CARBOXYALKYL DERIVATIVES AND FLUORESCENT CONJUGATES THEREOF. BIOCARB AB (SE) 1988-08-10 EP disclosed
WO-1987003589-A1 7-AMINO-4-METHYL-COUMARIN-3-CABOXYALKYL DERIVATES AND FLUORESCENT CONJUGATES THEREOF BIOCARB AB (SE) 1987-06-18 WO disclosed