SCHEMBL4602884

SCHEMBL4602884

O=C(c1c(F)cccc1F)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
BLM P54132 1/20 0.52
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4603128 0.90 BLM (0.52) L3MBTL1BLMHTTLMNASMN1; SMN2
SCHEMBL4605773 0.82 LMNA (0.52) HTTLMNASMN1; SMN2
SCHEMBL4602168 0.81 ALDH1A1 (0.53) HTTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5525074 0.79 ALDH1A1 (0.59) L3MBTL1HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3114233 0.78 SMN1; SMN2 (0.56) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL25397720 0.78 MAPT (0.48) L3MBTL1BLMHTTLMNASMN1; SMN2
SCHEMBL31681808 0.78 MAPT (0.48) L3MBTL1BLMHTTLMNASMN1; SMN2
SCHEMBL571956 0.78 ALDH1A1 (0.62) L3MBTL1HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4602771 0.77 ALDH1A1 (0.49) L3MBTL1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL6609562 0.75 ALDH1A1 (0.59) HTTLMNASMN1; SMN2ALDH1A1KDM4E

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