SCHEMBL10364059

SCHEMBL10364059

C=CC(=O)NCCCCOc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ GLA P06280 1/20 0.50
▸ TGM2 P21980 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TBXA2R P21731 2/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10808998 0.90 RAB9A (0.53) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL10363305 0.88 RAB9A (0.52) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL10364150 0.87 RAB9A (0.51) RAB9AALDH1A1TGM2KDM4ECYP1A2
SCHEMBL10364064 0.86 RAB9A (0.68) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL10363741 0.86 RAB9A (0.50) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL10803038 0.85 RAB9A (0.49) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL10362336 0.85 RAB9A (0.48) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL10362575 0.85 RAB9A (0.48) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL10807841 0.83 KDM4E (0.53) RAB9AALDH1A1MEN1KMT2AGLA
SCHEMBL10364132 0.82 KDM4E (0.52) RAB9AALDH1A1KMT2ATGM2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0155177-B1 UNSATURATED CYCLIC AMIDO-SUBSTITUTED ETHER COMPOUNDS AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-31 — — EP disclosed
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 — — EP disclosed
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