SCHEMBL16401703

SCHEMBL16401703

[CH2]c1cn(Cc2cccc(C(F)(F)F)c2)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.55
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
KCNH2 Q12809 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KDR P35968 1/20 0.46
TEK Q02763 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
SCHEMBL28263507 0.82 EPHB4 (0.52) KDM4EALDH1A1MEN1KMT2AKDR
SCHEMBL16401596 0.81 SIGMAR1 (0.51) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL1231556 0.80 GPR55 (0.71) GPR55POLBMEN1KMT2APSEN1
SCHEMBL27394957 0.80 GPR55 (0.55) GPR55POLBKDM4EALDH1A1GAA
SCHEMBL10666350 0.79 GPR55 (0.54) GPR55POLBALDH1A1MEN1KMT2A
SCHEMBL16401421 0.78 TYR (0.59) KDRTEK
SCHEMBL16401868 0.78 CD74 (0.48) HSP90AB1
SCHEMBL10667310 0.78 CA5A (0.57) GPR55POLBMEN1KMT2APSEN1
SCHEMBL16401451 0.76 CYP19A1 (0.61) HSP90AB1
SCHEMBL11131522 0.75 GPR55 (0.50) GPR55POLBALDH1A1MEN1KMT2A

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-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed