SCHEMBL4601925

SCHEMBL4601925

Nc1ccc(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
DPP4 P27487 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4603068 0.82 ALDH1A1 (0.50) KDM4EALDH1A1HTTLMNADPP4
SCHEMBL4602273 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HTTLMNAKMT2A
SCHEMBL22163870 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL21245769 0.80 CPS1 (0.52) KDM4EALDH1A1HTTLMNA
SCHEMBL30198967 0.80 CPS1 (0.52) KDM4EALDH1A1HTTLMNA
SCHEMBL22172219 0.79 CPS1 (0.48) KDM4EALDH1A1HTTLMNA
SCHEMBL4602793 0.79 KDM4E (0.51) KDM4EALDH1A1HTT
SCHEMBL22172226 0.78 GPR183 (0.49) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL22172181 0.78 PIK3CA (0.49) KDM4EALDH1A1HTTLMNAKMT2A
SCHEMBL30309550 0.78 GPR183 (0.49) KDM4EALDH1A1HTTLMNASMN1; 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
EP-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed