SCHEMBL3841422

SCHEMBL3841422

CCCC(C)(Oc1ccc(OCCCNc2nn(CCCC(F)(F)F)c(=O)n(C)c2=O)cc1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34
MGAT2 Q10469 3/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
PPARG P37231 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3840691 0.92 SMPD1 (0.39) LMNAHTTRAB9ASMN1; SMN2TSHR
SCHEMBL3841459 0.91 PKM (0.34) PKMLMNAHTTRAB9ASMN1; SMN2
SCHEMBL3843700 0.90 SMPD1 (0.39) LMNAHTTRAB9ASMN1; SMN2TSHR
SCHEMBL3848287 0.90 PPARA (0.41) LMNAHTTRAB9ASMN1; SMN2PPARD
SCHEMBL3849934 0.90 PPARG (0.38) HTTSMN1; SMN2MGAT2TSHRMAPK1
SCHEMBL3849202 0.87 EPHX2 (0.34) PKMEPHX2POLBL3MBTL1TSHR
SCHEMBL3289571 0.85 PPARA (0.39) LMNAHTTRAB9ASMN1; SMN2MGAT2
SCHEMBL3847164 0.85 PPARA (0.40) LMNAHTTSMN1; SMN2PPARDPPARA
SCHEMBL3842294 0.84 PPARA (0.41) LMNAHTTSMN1; SMN2L3MBTL1PPARD
SCHEMBL3842107 0.84 PPARG (0.38) LMNAHTTSMN1; SMN2PPARDPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed