SCHEMBL9119960

SCHEMBL9119960

CC1(C)COC(c2ccc(C(F)(F)F)cc2CO)=N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 2/20 0.35
IL2 P60568 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP11B2 P19099 1/20 0.33
GRM5 P41594 1/20 0.33
S1PR1 P21453 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL7842188 0.83 KDM4E (0.43) KDM4EHTTLMNAMAPTATM
SCHEMBL9607357 0.81 KDM4E (0.41) KDM4EHTTLMNAMAPTATM
SCHEMBL20921262 0.81 KDM4E (0.41) KDM4EHTTLMNAMAPTATM
SCHEMBL7937331 0.81 FABP4 (0.42) KDM4EHTTLMNAMAPTIL2
SCHEMBL422793 0.79 KDM4E (0.39) KDM4EHTTLMNAMAPT
SCHEMBL425368 0.79 KDM4E (0.39) KDM4EHTTLMNAMAPTATM
SCHEMBL7839638 0.77 KDM4E (0.37) KDM4EATMHRH3
SCHEMBL11630461 0.76 KDM4E (0.50) KDM4EHTTLMNAMAPTATM
SCHEMBL7513299 0.76 KDM4E (0.44) KDM4EHTTLMNAMAPTATM
SCHEMBL954192 0.74 LMNA (0.48) KDM4EHTTLMNAMAPTIL2

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
US-5395827-A Analgesic, anticonvulsant, antiepileptic and anxiolytic agents GUILFORD PHARMACEUTICALS INC. (US) 1995-03-07 US disclosed
WO-1993005772-A1 φ-[2-(PHOSPHONOALKYL)PHENYL]-2-AMINOALKANOIC ACIDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS NOVA PHARMACEUTICAL CORPORATION (US) 1993-04-01 WO disclosed