SCHEMBL9207152

SCHEMBL9207152

O=C(Nc1ccc(Br)cc1)c1c(O)c2ccc(C(Cl)(Cl)Cl)cc2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ MAOB P27338 2/20 0.39
▸ F12 P00748 1/20 0.38
▸ NPC1 O15118 4/20 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
SCHEMBL9202545 0.89 CA1 (0.47) CA1CA12CA9KMT2AMEN1
SCHEMBL9204225 0.87 CA12 (0.51) CA1CA12CA9KMT2AMEN1
SCHEMBL9199959 0.85 CA1 (0.47) CA1CA12CA9KMT2AMEN1
SCHEMBL9530329 0.84 CA12 (0.47) CA1CA12CA9KMT2AMEN1
SCHEMBL9207067 0.83 NQO1 (0.49) CA1CA12CA9KMT2AMEN1
SCHEMBL9203395 0.83 KMT2A (0.47) CA1CA12CA9KMT2AMEN1
SCHEMBL7615388 0.81 CA1 (0.48) CA1CA12CA9KMT2AMEN1
SCHEMBL9201369 0.81 CA12 (0.47) CA1CA12CA9KMT2AMEN1
SCHEMBL9199710 0.80 F12 (0.46) CA1CA12CA9KMT2AMEN1
SCHEMBL7617421 0.80 MEN1 (0.51) CA1CA12CA9KMT2AMEN1

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
EP-0550493-B1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1995-08-09 — — EP claimed
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