SCHEMBL13858772

SCHEMBL13858772

CC(C)(C)COC(=O)NCc1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ GPR139 Q6DWJ6 1/20 0.37

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
SCHEMBL13720474 0.88 KDM4E (0.47) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13721693 0.84 KDM4E (0.46) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13720169 0.83 ALDH1A1 (0.48) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13858646 0.83 ALDH1A1 (0.50) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13721052 0.82 KDM4E (0.47) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13721076 0.80 KMT2A (0.49) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13721548 0.79 KDM4E (0.51) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL30795062 0.79 ADRA1A (0.51) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL1790428 0.79 ADRA1A (0.51) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13720538 0.79 KDM4E (0.48) KDM4EHPGDALDH1A1KMT2AMEN1

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