SCHEMBL9530329

SCHEMBL9530329

CC(C)(C)c1ccc(NC(=O)c2c(O)c3ccc(Br)cc3oc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42

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
SCHEMBL9204225 0.90 CA12 (0.51) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL9203395 0.85 KMT2A (0.47) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL9201369 0.85 CA12 (0.47) CA12CA9POLBKMT2AMEN1
SCHEMBL9202545 0.84 CA1 (0.47) CA12CA9KMT2ANPSR1MEN1
SCHEMBL9207152 0.84 CA1 (0.45) CA12CA9POLBKMT2AMEN1
SCHEMBL9528732 0.83 CA12 (0.45) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL9199959 0.81 CA1 (0.47) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL9207067 0.81 NQO1 (0.49) CA12CA9POLBKMT2AMEN1
SCHEMBL9199710 0.78 F12 (0.46) CA12CA9KMT2ANPSR1MEN1
SCHEMBL7617421 0.78 MEN1 (0.51) CA12CA9POLBKMT2AMEN1

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-0550493-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1993-07-14 — — EP claimed
WO-1992006083-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-04-16 — — WO claimed
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