SCHEMBL698829

SCHEMBL698829

CC(c1ccccc1)c1nccn1COC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL698625 0.88 MEN1 (0.37) NPC1SMN1; SMN2KMT2A
SCHEMBL697750 0.87 POLB (0.36) NPC1SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL27845586 0.85 ADRA1D (0.36) SMN1; SMN2CYP1A2CYP2D6CYP2C19PRKCA
SCHEMBL1573126 0.85 ALDH1A1 (0.40) NPC1KDM4E
Ethane SCHEMBL27845734 0.84 ADRA1D (0.36) SMN1; SMN2CYP1A2CYP2D6CYP2C19PRKCA
SCHEMBL697333 0.83 KMT2A (0.36) NPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL702874 0.82 KMT2A (0.36) NPC1KMT2ATDP1
SCHEMBL3528743 0.81 ALDH1A1 (0.35) NPC1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL698624 0.81 ALDH1A1 (0.35) NPC1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL697152 0.81 ALDH1A1 (0.35) NPC1SMN1; SMN2KDM4ECYP1A2CYP2D6

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-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed