SCHEMBL13689913

SCHEMBL13689913

CNc1ccc(F)cc1N=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.36
▸ CCNE2 O96020 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ GAA P10253 5/20 0.33
▸ NPC1 O15118 5/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33

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
SCHEMBL13349613 0.79 MAPT (0.36) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL9706128 0.78 HPGD (0.41) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL18474287 0.76 PRKCI (0.38) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL13879940 0.76 SIGMAR1 (0.37) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL18077360 0.76 KDM4E (0.49) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL28196867 0.76 PDE2A (0.32) —
SCHEMBL23663756 0.75 LMNA (0.30) HTTLMNA
SCHEMBL12494587 0.74 GAA (0.31) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL14138229 0.73 CES2 (0.34) HTTMAPTALDH1A1TDP1NPC1
SCHEMBL5510041 0.73 ALDH1A1 (0.39) HTTCCNE2CCNE1CDK2MAPT

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
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 — — US disclosed
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