SCHEMBL15740402

SCHEMBL15740402

O=CC(Oc1ccc2ccc([N+](=O)[O-])c(C(F)(F)F)c2c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ SERPINE1 P05121 2/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ SIRT6 Q8N6T7 2/20 0.38
▸ SLC6A9 P48067 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ VDR P11473 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL15740417 0.87 SERPINE1 (0.44) SERPINE1SLC6A9SLC6A5SMN1; SMN2MEN1
SCHEMBL15740353 0.86 HRH3 (0.43) SERPINE1SLC6A4SMN1; SMN2MEN1RECQL
SCHEMBL15708168 0.79 ENPP2 (0.67) ENPP2HTR1ASMN1; SMN2MEN1KMT2A
SCHEMBL7253846 0.72 HSD11B1 (0.47) ENPP2HTR1ASIRT6SMN1; SMN2LMNA
SCHEMBL15708172 0.71 ENPP2 (0.61) ENPP2SMN1; SMN2LMNAMAPTHTT
SCHEMBL15724765 0.71 MAPT (0.61) ENPP2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL15707965 0.70 ENPP2 (0.55) ENPP2HTR1ASMN1; SMN2MEN1KMT2A
SCHEMBL15708170 0.69 ENPP2 (0.55) ENPP2SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL15707902 0.68 HNF4A (0.49) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL15707896 0.68 SMN1; SMN2 (0.58) ENPP2SERPINE1SMN1; SMN2MEN1KMT2A

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
EP-2922845-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial, Inc. (US) 2015-09-30 — — EP disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 — — WO disclosed
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