SCHEMBL13858680

SCHEMBL13858680

O=C(Cc1ccc(Cl)cc1)Nn1nc(S(=O)(=O)c2cc[c]cc2)c2ccccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ EGFR P00533 4/20 0.41
▸ ERBB2 P04626 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CASP3 P42574 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 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
SCHEMBL13721332 0.92 EGFR (0.50) KDM4EHPGDKMT2AMEN1EGFR
SCHEMBL13720446 0.89 KDM4E (0.45) KDM4EHPGDKMT2AMEN1EGFR
SCHEMBL13720284 0.88 EGFR (0.50) KDM4EHPGDKMT2AMEN1EGFR
SCHEMBL13720804 0.88 EGFR (0.50) KDM4EHPGDKMT2AMEN1EGFR
SCHEMBL13720542 0.88 KDM4E (0.45) KDM4EHPGDKMT2AMEN1EGFR
SCHEMBL13720642 0.87 ABCB1 (0.48) KDM4EHPGDKMT2AMEN1EGFR
SCHEMBL13720857 0.86 KDM4E (0.43) KDM4EHPGDKMT2AMEN1EGFR
SCHEMBL16155987 0.85 PRMT1 (0.46) KDM4EHPGDKMT2AMEN1EGFR
SCHEMBL13720504 0.82 KDM4E (0.48) KDM4EHPGDKMT2AMEN1EGFR
SCHEMBL13720678 0.82 KDM4E (0.46) KDM4EHPGDKMT2AMEN1EGFR

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
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO claimed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO disclosed
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