SCHEMBL2126453

SCHEMBL2126453

O=[N+]([O-])c1ccc(OC2CCC(OC(C=S)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
TP53 P04637 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD11B1 P28845 1/20 0.39
SLC6A9 P48067 1/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 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
SCHEMBL2127257 0.93 MAPT (0.42) MAPTSMN1; SMN2CYP2C9CYP2C19TP53
SCHEMBL2127941 0.88 MEN1 (0.39) MAPTSMN1; SMN2CYP2C9CYP2C19TP53
SCHEMBL2126153 0.87 SERPINE1 (0.48) SMN1; SMN2KMT2AMEN1KDM4EHPGD
SCHEMBL2125439 0.85 SERPINE1 (0.39) MAPTKMT2AMEN1HTTLMNA
SCHEMBL2127281 0.83 SIRT6 (0.41) MAPTSLC6A9HTTLMNA
SCHEMBL2125198 0.81 MEN1 (0.40) MAPTSMN1; SMN2CYP2C9CYP2C19TP53
SCHEMBL2617858 0.81 KMT2A (0.46) MAPTSMN1; SMN2CYP2C9CYP2C19TP53
SCHEMBL2122947 0.81 KMT2A (0.46) MAPTSMN1; SMN2CYP2C9CYP2C19TP53
SCHEMBL2617798 0.81 KMT2A (0.46) MAPTSMN1; SMN2CYP2C9CYP2C19TP53
SCHEMBL2126439 0.81 SIRT6 (0.41) MAPTHTTLMNA

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