SCHEMBL8939191

SCHEMBL8939191

NOC(=O)c1ccccc1Oc1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ CTNNB1 P35222 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ APAF1 O14727 1/20 0.37

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
SCHEMBL9592615 0.83 CTNNB1 (0.61) ALDH1A1RAB9ANPC1CTNNB1MEN1
SCHEMBL9275209 0.82 ELANE (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1CTNNB1
SCHEMBL118736 0.81 HTT (0.56) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL30867034 0.81 HTT (0.56) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL28243991 0.77 CTNNB1 (0.68) SMN1; SMN2ALDH1A1RAB9ACTNNB1TDP1
SCHEMBL121378 0.76 KDM4E (0.42) SMN1; SMN2ALDH1A1RAB9ACTNNB1TDP1
SCHEMBL7851367 0.76 NPSR1 (0.69) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
Phenol SCHEMBL29212150 0.75 HTT (0.50) SMN1; SMN2ALDH1A1NPC1TDP1MEN1
SCHEMBL8456369 0.75 MEN1 (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL9601649 0.73 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1CTNNB1

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
US-5494888-A ACETOLACTATE SYNTHASE INHIBITOR LUCKY LTD. (KR) 1996-02-27 — — US disclosed
EP-0608862-A1 Novel 6-chloro-2-(4,6-dimethoxypyrimidin-2-yl) oxybenzoic acid ester derivatives, processes for their production an a method for their application as herbicides LUCKY LTD. (KR) 1994-08-03 — — EP disclosed
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