SCHEMBL6232188

SCHEMBL6232188

NC(=O)n1ccc(-c2ccc(OCc3c(F)cccc3F)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 6/20 0.60
▸ SCN9A Q15858 3/20 0.54
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALKBH1 Q13686 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PARP15 Q460N3 1/20 0.40
▸ PARP14 Q460N5 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ TEC P42680 1/20 0.39

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
SCHEMBL6232769 0.82 SCN4A (0.49) SCN4ASCN9AMEN1KMT2A
SCHEMBL1384902 0.76 SCN4A (1.00) SCN4ASCN9A
SCHEMBL1384820 0.74 SCN4A (1.00) SCN4ASCN9ARAB9APARP10BTK
SCHEMBL13168526 0.73 SCN4A (0.82) SCN4ASCN9A
SCHEMBL13168542 0.73 SCN4A (0.82) SCN4ASCN9A
SCHEMBL3367406 0.71 SCN4A (0.79) SCN4ASCN9AMAPTKMT2APARP15
SCHEMBL13168622 0.71 SCN4A (1.00) SCN4ASCN9AEGFRBTK
SCHEMBL1386035 0.71 SCN4A (1.00) SCN4ASCN9AEGFRBTK
SCHEMBL27795462 0.71 SCN4A (0.74) SCN4ASCN9AMAPTSMN1; SMN2KDM4E
SCHEMBL189702 0.70 RAB9A (0.53) MAPTSMN1; SMN2KDM4ERAB9AMEN1

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 — — WO disclosed
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