SCHEMBL679716

SCHEMBL679716

C[C@@H]1CN(c2cc3nn(C4CCCCO4)cc3cc2Oc2ccc([N+](=O)[O-])cc2F)CCO1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.36
FFAR2 O15552 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR4 O95977 1/20 0.32
HSPB1 P04792 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKT1 P31749 1/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
ATM Q13315 1/20 0.30
KMT2A Q03164 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 1.00 ATR (0.36) ATRFFAR2ALDH1A1MAPTLMNA
SCHEMBL680000 0.93 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL679194 0.88 RAB9A (0.32) ALDH1A1MAPTMITFRAB9AS1PR4
SCHEMBL679311 0.87 ATR (0.37) ATRFFAR2AKT1BRAFKDR
SCHEMBL679312 0.87 ATR (0.37) ATRFFAR2AKT1BRAFKDR
SCHEMBL680388 0.83 HSPB1 (0.36) ALDH1A1MAPTSMN1; SMN2RAB9AS1PR4
SCHEMBL679444 0.83 HSPB1 (0.36) ALDH1A1MAPTSMN1; SMN2RAB9AS1PR4
SCHEMBL680364 0.79 KDM4E (0.35) RAB9AKMT2A
SCHEMBL1547818 0.78 ATM (0.32) ATRAKT1ATM
SCHEMBL680593 0.76 AXL (0.37) ATRALDH1A1MAPTGAASMN1; 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-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed