SCHEMBL4603068

SCHEMBL4603068

O=C(c1ccc(F)cc1F)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.47
TNFSF11 O14788 1/20 0.46
TNF P01375 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
DPP4 P27487 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
SCHEMBL4602771 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4601925 0.82 KDM4E (0.54) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL30309447 0.82 KMT2A (0.61) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL30309448 0.82 KMT2A (0.56) ALDH1A1LMNASMN1; SMN2
SCHEMBL30309441 0.81 POLB (0.51) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL28424009 0.80 L3MBTL1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2DPP4
SCHEMBL30309421 0.80 MAPT (0.50) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL4605773 0.78 LMNA (0.52) LMNAHTTSMN1; SMN2
SCHEMBL30309521 0.78 L3MBTL1 (0.58) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL21245560 0.76 CDK1 (0.48) ALDH1A1KDM4ELMNASMN1; 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