SCHEMBL2126153

SCHEMBL2126153

O=[N+]([O-])c1ccc(OC2CCC(OC(C=S)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.48
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
ACACB O00763 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
OGA O60502 2/20 0.36
SIRT6 Q8N6T7 1/20 0.35
POLB P06746 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
PRKAA2 P54646 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
SCHEMBL2125266 0.93 SERPINE1 (0.49) SERPINE1MEN1KMT2AHRH3ACACB
SCHEMBL2125439 0.92 SERPINE1 (0.39) SERPINE1MEN1KMT2ALMNAOGA
SCHEMBL2126453 0.87 MAPT (0.42) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL2128389 0.87 SERPINE1 (0.45) SERPINE1MEN1KMT2AHRH3HPGD
SCHEMBL2127281 0.85 SIRT6 (0.41) SERPINE1HRH3ACACBLMNASIRT6
SCHEMBL384302 0.85 SERPINE1 (0.58) SERPINE1MEN1KMT2AHRH3ACACB
SCHEMBL2126449 0.85 SERPINE1 (0.40) SERPINE1MEN1KMT2AHRH3LMNA
SCHEMBL2126439 0.83 SIRT6 (0.41) SERPINE1ACACBLMNAOGASIRT6
SCHEMBL2126360 0.80 SERPINE1 (0.45) SERPINE1MEN1KMT2AHRH3HPGD
SCHEMBL2127257 0.80 MAPT (0.42) MEN1KMT2AHPGDSMN1; SMN2KDM4E

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