SCHEMBL2127741

SCHEMBL2127741

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)F)c2)CC1)N1CCN(c2ccc(C(F)F)cn2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.34
MAPT P10636 6/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SERPINE1 P05121 1/20 0.30
GLA P06280 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2124155 0.90 SERPINE1 (0.37) PANK3MAPK1ALDH1A1SERPINE1GLA
SCHEMBL2126360 0.82 SERPINE1 (0.45) PANK3MAPTGAAALDH1A1SERPINE1
SCHEMBL2119676 0.81 PANK3 (0.40) PANK3MAPTMAPK1GAAALDH1A1
SCHEMBL2617773 0.81 PANK3 (0.40) PANK3MAPTMAPK1GAAALDH1A1
SCHEMBL2617893 0.81 PANK3 (0.40) PANK3MAPTMAPK1GAAALDH1A1
SCHEMBL2125848 0.81 SERPINE1 (0.37) PANK3MAPTMAPK1ALDH1A1SERPINE1
SCHEMBL2128389 0.75 SERPINE1 (0.45) PANK3MAPTGAAALDH1A1SERPINE1
SCHEMBL2126718 0.75 CCNC (0.40) MAPTMAPK1GAAALDH1A1GLA
SCHEMBL15740360 0.75 TMEM97 (0.36) MAPK1ALDH1A1GLALMNACYP1A2
SCHEMBL2125553 0.75 SERPINE1 (0.36) PANK3MAPTMAPK1ALDH1A1SERPINE1

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