SCHEMBL28208229

SCHEMBL28208229

O=[N+]([O-])Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.60
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.49
ALDH1A1 P00352 2/20 0.49
FBP1 P09467 1/20 0.49
FFAR1 O14842 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
CCNA1 P78396 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
CA12 O43570 1/20 0.47

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
SCHEMBL9687354 0.86 KIF11 (0.47) KIF11MAPTMEN1KMT2AHTT
Nitric Acid SCHEMBL20984560 0.78 ALDH1A1 (0.56) KIF11MAPTMEN1KMT2AHTT
SCHEMBL11564188 0.77 EPHX2 (0.48) KIF11MAPTRAB9AFBP1CA12
SCHEMBL16208490 0.77 KIF11 (0.81) KIF11MAPTMEN1KMT2AHTT
SCHEMBL10384367 0.77 MAPT (0.52) KIF11MAPTMEN1KMT2AHTT
SCHEMBL7043192 0.76 KIF11 (1.00) KIF11MAPTMEN1KMT2ALMNA
SCHEMBL3954585 0.76 FBP1 (0.57) KIF11MAPTMEN1KMT2AHTT
SCHEMBL6841678 0.76 KIF11 (0.78) KIF11MAPTMEN1KMT2ALMNA
SCHEMBL3954584 0.74 KIF11 (0.52) KIF11MAPTMEN1KMT2AHTT
SCHEMBL3954581 0.74 KIF11 (0.52) KIF11MAPTMEN1KMT2AHTT

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
CN-107830520-A A kind of burning-point burner 徐州工程学院 2018-03-23 CN claimed
CN-107830520-A A kind of burning-point burner 徐州工程学院 2018-03-23 CN disclosed