SCHEMBL16155964

SCHEMBL16155964

O=C(O)Nc1ccc(Sc2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CACNA1G O43497 1/20 0.41
▸ CACNA1H O95180 1/20 0.41
▸ CACNA1I Q9P0X4 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 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
SCHEMBL13721165 0.91 KMT2A (0.48) AKR1B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13721316 0.87 KDM4E (0.45) AKR1B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13721379 0.87 MEN1 (0.46) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL13720819 0.86 KDM4E (0.45) AKR1B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13858401 0.85 KDM4E (0.45) AKR1B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13720757 0.84 KDM4E (0.41) AKR1B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL16155987 0.81 PRMT1 (0.46) AKR1B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13721378 0.80 HPGD (0.47) AKR1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13720425 0.79 MAPK8 (0.41) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL13721003 0.78 KDM4E (0.49) AKR1B1ALDH1A1MEN1KMT2ALMNA

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
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
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