SCHEMBL2128389

SCHEMBL2128389

O=[N+]([O-])c1ccc(NC2CCC(OC(C=S)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 3/20 0.39
MAPT P10636 6/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
PANK3 Q9H999 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 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
SCHEMBL2126360 0.93 SERPINE1 (0.45) SERPINE1MEN1KMT2AHRH3MAPT
SCHEMBL2125553 0.92 SERPINE1 (0.36) SERPINE1MAPTKDM4EPANK3SMN1; SMN2
SCHEMBL2127941 0.88 MEN1 (0.39) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL2126153 0.87 SERPINE1 (0.48) SERPINE1MEN1KMT2AHRH3KDM4E
SCHEMBL2127785 0.86 CCNC (0.40) HRH3MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL2124155 0.85 SERPINE1 (0.37) SERPINE1MEN1KMT2AHRH3PANK3
SCHEMBL2125848 0.85 SERPINE1 (0.37) SERPINE1MEN1KMT2AMAPTKDM4E
SCHEMBL2127365 0.83 SIRT6 (0.39) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL15740426 0.82 HRH3 (0.42) SERPINE1HRH3
SCHEMBL2119695 0.81 SERPINE1 (0.47) SERPINE1MEN1KMT2AMAPTKDM4E

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-2443091-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-04-25 EP disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 WO disclosed