SCHEMBL11601372

SCHEMBL11601372

Cc1cccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.54
EPAS1 Q99814 2/20 0.53
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
VEGFA P15692 1/20 0.42
AR P10275 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL11600925 0.87 KIF11 (0.59) KIF11EPAS1MAPTALDH1A1NPSR1
SCHEMBL11601182 0.87 KIF11 (0.62) KIF11EPAS1MAPTALDH1A1NPSR1
SCHEMBL9788483 0.83 KIF11 (0.48) KIF11EPAS1ALDH1A1KDM4ELMNA
SCHEMBL11599104 0.82 KIF11 (0.61) KIF11EPAS1MAPTALDH1A1LMNA
SCHEMBL11600890 0.81 KIF11 (0.60) KIF11EPAS1MAPTALDH1A1LMNA
SCHEMBL11082077 0.78 KIF11 (0.52) KIF11EPAS1MAPTALDH1A1LMNA
SCHEMBL11603516 0.78 MAPT (0.41) KIF11EPAS1MAPTALDH1A1KDM4E
SCHEMBL11599131 0.75 KIF11 (0.48) KIF11EPAS1MAPTALDH1A1NPSR1
SCHEMBL11601120 0.74 ALDH1A1 (0.48) KIF11EPAS1MAPTALDH1A1KDM4E
SCHEMBL11601195 0.74 EPAS1 (0.52) KIF11EPAS1MAPTALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4086364-A AGRICULTURE GAF CORPORATION (US) 1978-04-25 US claimed
US-4086364-A AGRICULTURE GAF CORPORATION (US) 1978-04-25 US disclosed