SCHEMBL27861545

SCHEMBL27861545

Cc1ccccc1C(F)(F)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ ELANE P08246 3/20 0.42
▸ NPC1 O15118 6/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PKM P14618 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HSPD1 P10809 2/20 0.36
▸ PTPN2 P17706 2/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ PTPN5 P54829 2/20 0.36
▸ HSPE1 P61604 2/20 0.36

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
SCHEMBL27844356 0.78 MAPT (0.42) MAPTELANENPC1RAB9ASMN1; SMN2
SCHEMBL27844360 0.77 ELANE (0.44) MAPTELANENPC1RAB9ASMN1; SMN2
SCHEMBL28377575 0.76 ELANE (0.41) MAPTELANENPC1RAB9ASMN1; SMN2
SCHEMBL1553499 0.76 ELANE (0.58) MAPTELANENPC1RAB9ASMN1; SMN2
SCHEMBL27844353 0.76 NPC1 (0.47) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27952752 0.75 ELANE (0.40) MAPTELANENPC1RAB9ASMN1; SMN2
SCHEMBL21488100 0.74 NPC1 (0.47) MAPTELANENPC1RAB9ASMN1; SMN2
SCHEMBL21488211 0.73 ELANE (0.46) MAPTELANENPC1RAB9ASMN1; SMN2
SCHEMBL1554271 0.73 NPC1 (0.46) MAPTELANENPC1RAB9ASMN1; SMN2
SCHEMBL1792867 0.72 ELANE (0.58) MAPTELANENPC1RAB9ASMN1; 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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