SCHEMBL27844360

SCHEMBL27844360

FC(F)(c1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.44
▸ NPC1 O15118 7/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PSMB8 P28062 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL1553499 0.81 ELANE (0.58) ELANENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13499117 0.80 ELANE (0.45) ELANENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21488100 0.79 NPC1 (0.47) ELANENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21488211 0.78 ELANE (0.46) ELANENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1554271 0.78 NPC1 (0.46) ELANENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29226418 0.76 ALDH1A1 (0.44) ELANENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29226423 0.76 ALDH1A1 (0.44) ELANENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3913461 0.75 NPC1 (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5720494 0.75 NPC1 (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL28377575 0.74 ELANE (0.41) ELANENPC1RAB9AMAPTSMN1; SMN2

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
CN-102260223-A Serial-aristeromycin compounds containing 1,3-benzodiazole and synthesis method thereof — 2011-11-30 — — CN disclosed
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