SCHEMBL27677695

SCHEMBL27677695

O=C(Nc1ccc(O)cc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 5/20 0.53
▸ AR P10275 1/20 0.48
▸ PDK1 Q15118 2/20 0.48
▸ PDK2 Q15119 2/20 0.48
▸ PDK3 Q15120 2/20 0.48
▸ PDK4 Q16654 2/20 0.48
▸ ABCC9 O60706 1/20 0.47
▸ ABCC8 Q09428 1/20 0.47
▸ KCNJ11 Q14654 1/20 0.47
▸ KCNJ8 Q15842 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43

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
SCHEMBL8129876 0.90 KCNMA1 (0.52) KCNMA1ARPDK1PDK2PDK3
SCHEMBL14376787 0.85 KCNMA1 (0.58) KCNMA1ARPDK1PDK2PDK3
SCHEMBL29764433 0.84 KCNMA1 (0.47) KCNMA1ARPDK1PDK2PDK3
SCHEMBL22262383 0.84 KCNMA1 (0.63) KCNMA1MEN1KMT2AMAPTNPC1
SCHEMBL29659895 0.84 KCNMA1 (0.63) KCNMA1MEN1KMT2AMAPTNPC1
SCHEMBL12350643 0.84 MAPK1 (0.53) KCNMA1ARPDK1PDK2PDK3
SCHEMBL2884065 0.84 ALDH1A1 (0.59) KCNMA1PDK1PDK2PDK3PDK4
SCHEMBL12798871 0.82 MEN1 (0.47) KCNMA1ARPDK1PDK2PDK3
SCHEMBL14578261 0.80 MEN1 (0.71) MEN1KMT2AABCB1ABCC1MAPT
SCHEMBL2556912 0.80 MEN1 (0.49) KCNMA1ARPDK1PDK2PDK3

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
CN-1966495-B Method for preparing 5-(4- fluobenzene sulphonyloxy) benzimidazole-2-amido methyl formate CHANGZHOU YABANG QIHUI FINE CHEMICALS CO LTD 2010-06-16 — — CN disclosed
CN-1966495-A Method for preparing 5-(4- fluobenzene sulphonyloxy) benzimidazole-2-amido methyl formate CHANGZHOU YABANG QIHUI FINE CH (CN) 2007-05-23 — — CN disclosed
Send feedback