SCHEMBL16892447

SCHEMBL16892447

CC(C)OC(=O)[C@H](C)NP(=O)(Oc1ccc(C#Cc2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL28842286 0.93 BTN3A1 (0.48) BTN3A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15588696 0.93 BTN3A1 (0.48) BTN3A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15457700 0.93 BTN3A1 (0.48) BTN3A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL850882 0.93 BTN3A1 (0.48) BTN3A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL20059213 0.93 BTN3A1 (0.48) BTN3A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL13051654 0.93 BTN3A1 (0.48) BTN3A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL851467 0.93 BTN3A1 (0.48) BTN3A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL851091 0.93 BTN3A1 (0.48) BTN3A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL17601834 0.89 CA1 (0.49) BTN3A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL16892371 0.86 CES2 (0.39) BTN3A1ALDH1A1MEN1KMT2AMAPT

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
WO-2015101183-A1 URACIL NUCLEOTIDE ANALOGS, PREPARATION METHODS THEREFOR AND USES THEREOF 江苏豪森药业股份有限公司 2015-07-09 — — WO disclosed
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