SCHEMBL2124654

SCHEMBL2124654

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.37
TMEM97 Q5BJF2 6/20 0.36
AR P10275 6/20 0.35
CYP3A4 P08684 2/20 0.35
CES2 O00748 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
TBXA2R P21731 1/20 0.35
AADAC P22760 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL2126718 0.85 CCNC (0.40) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL15740370 0.82 POLB (0.37) TMEM97SMN1; SMN2
SCHEMBL382069 0.82 SERPINE1 (0.42) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL2126360 0.82 SERPINE1 (0.45) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2125848 0.81 SERPINE1 (0.37) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL2124155 0.81 SERPINE1 (0.37) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL2126004 0.80 SIRT6 (0.40) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL2125198 0.80 MEN1 (0.40) ALDH1A1LMNACYP2C9MAPK1CYP2C19
SCHEMBL2617769 0.79 ENPP2 (0.41) MALT1TMEM97ARCYP3A4CES2
SCHEMBL2123344 0.79 ENPP2 (0.41) MALT1TMEM97ARCYP3A4CES2

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