SCHEMBL13858401

SCHEMBL13858401

O=C(Cc1ccc(Cl)cc1)Nn1nc(Sc2cc[c]cc2)c2ccccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL13721165 0.92 KMT2A (0.48) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13720819 0.89 KDM4E (0.45) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13721379 0.88 MEN1 (0.46) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13721316 0.88 KDM4E (0.45) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL16155964 0.85 AKR1B1 (0.45) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13720757 0.81 KDM4E (0.41) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13721378 0.81 HPGD (0.47) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13721003 0.81 KDM4E (0.49) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13858680 0.80 KDM4E (0.45) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL30824700 0.79 KDM4E (0.54) KDM4EHPGDKMT2AMEN1ALDH1A1

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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