SCHEMBL680000

SCHEMBL680000

C[C@@H]1CN(c2cc3nn(C4CCCCO4)cc3cc2Oc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.35
S1PR4 O95977 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSPB1 P04792 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.30

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
SCHEMBL680888 0.93 ATR (0.36) ALDH1A1GAASMN1; SMN2LMNAS1PR4
SCHEMBL679716 0.93 ATR (0.36) ALDH1A1GAASMN1; SMN2LMNAS1PR4
SCHEMBL680364 0.87 KDM4E (0.35) HTTKDM4ERAB9A
SCHEMBL679194 0.86 RAB9A (0.32) ALDH1A1S1PR4HSPB1MAPTRAB9A
SCHEMBL680388 0.84 HSPB1 (0.36) ALDH1A1SMN1; SMN2S1PR4HSPB1MAPT
SCHEMBL679444 0.84 HSPB1 (0.36) ALDH1A1SMN1; SMN2S1PR4HSPB1MAPT
SCHEMBL679312 0.79 ATR (0.37)
SCHEMBL680593 0.74 AXL (0.37) ALDH1A1GAASMN1; SMN2KDM4EMAPT
SCHEMBL1141432 0.74 RAB9A (0.44) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL680569 0.73 LATS1 (0.33)

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-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed