SCHEMBL11074228

SCHEMBL11074228

COC(=NC(=O)NCc1ccc(OC(F)(F)C(Cl)Cl)cc1)c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38
EPHX2 P34913 4/20 0.36
NR1H4 Q96RI1 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HTR2C P28335 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL11073508 0.91 CNR1 (0.36) MEN1ALDH1A1KMT2AOPRM1EPHX2
SCHEMBL11069978 0.91 EPHX2 (0.40) MEN1ALDH1A1KMT2AOPRM1EPHX2
SCHEMBL11075301 0.90 LMNA (0.39) MEN1ALDH1A1KMT2AOPRM1EPHX2
SCHEMBL11079132 0.85 TLR8 (0.40) MEN1ALDH1A1KMT2AEPHX2TRPV1
SCHEMBL11079135 0.85 TLR8 (0.40) MEN1ALDH1A1KMT2AEPHX2TRPV1
SCHEMBL11080529 0.83 TDP1 (0.39) MEN1ALDH1A1KMT2AEPHX2NR1H4
SCHEMBL11079072 0.81 EPHX2 (0.40) MEN1ALDH1A1KMT2AEPHX2NR1H4
SCHEMBL11073529 0.81 CARM1 (0.38) MEN1ALDH1A1KMT2AOPRM1EPHX2
SCHEMBL10794810 0.79 PPIA (0.43) MEN1KMT2AOPRM1EPHX2NR1H4
SCHEMBL11077225 0.78 LMNA (0.50) ALDH1A1EPHX2NPC1RAB9ASMN1; SMN2

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
US-4431667-A Imino ethers useful for controlling insect and arachnoid pests THE UPJOHN COMPANY (US) 1984-02-14 US disclosed