SCHEMBL4602771

SCHEMBL4602771

O=C(c1c(F)cccc1F)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.47
RXFP1 Q9HBX9 1/20 0.45
TNFSF11 O14788 1/20 0.45
TNF P01375 1/20 0.45

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
SCHEMBL30309448 0.83 KMT2A (0.56) ALDH1A1SMN1; SMN2LMNAKMT2AL3MBTL1
SCHEMBL4603068 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL28424009 0.81 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2KDM4ELMNAL3MBTL1
SCHEMBL4602273 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL21245560 0.78 CDK1 (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL15687836 0.78 KMT2A (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL4602884 0.77 L3MBTL1 (0.52) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL14577881 0.76 HTR1A (0.57) ALDH1A1SMN1; SMN2KDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL8934418 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
Hydrochloric Acid SCHEMBL7242189 0.76 HTR1A (0.56) ALDH1A1SMN1; SMN2KDM4ELMNAKMT2A

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