SCHEMBL11503699

SCHEMBL11503699

O=C(c1cccc(C(F)(F)F)c1)C(Cl)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.64
▸ LMNA P02545 1/20 0.52
▸ SRD5A2 P31213 1/20 0.51
▸ MAOB P27338 1/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ GPR139 Q6DWJ6 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ACP3 P15309 1/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRL1 P41146 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ KAT6A Q92794 1/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TLR7 Q9NYK1 1/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ P2RX1 P51575 1/20 0.46
▸ ACHE P22303 1/20 0.45

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
SCHEMBL11750908 0.83 CES2 (0.56) CES2SRD5A2MAOBACP3CNR2
SCHEMBL11753080 0.83 CES2 (0.56) CES2LMNASRD5A2MAOBACP3
SCHEMBL28669423 0.82 CES2 (0.65) CES2LMNASRD5A2MAOBKCNK3
SCHEMBL17483864 0.82 CES2 (0.64) CES2LMNASRD5A2MAOBKCNK3
SCHEMBL27873040 0.81 CES2 (0.62) CES2LMNASRD5A2MAOBKCNK3
SCHEMBL11753938 0.80 CES2 (0.61) CES2LMNAKCNK3GPR139OPRM1
SCHEMBL28423546 0.79 CES2 (0.60) CES2LMNASRD5A2MAOBGPR139
SCHEMBL11375046 0.78 CES2 (0.59) CES2LMNASRD5A2MAOBKCNK3
SCHEMBL18409716 0.78 CES2 (1.00) CES2LMNASRD5A2MAOBNPSR1
SCHEMBL458300 0.78 TDP1 (0.61) CES2LMNANPSR1ALDH1A1

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
WO-1979000858-A1 DIARYL SUBSTITUTED PYROZOLINE CARBOXANILIDES,PROCESSES FOR PREPARING THEM,INSECTICIDAL COMPOSITIONS AND USES THEREOF,AND INTERMEDIATES THEREFOR ICI LTD (GB) 1979-11-01 — — WO disclosed
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