SCHEMBL11087948

SCHEMBL11087948

CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-])C(=O)NCC1OCC(Cl)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MMP9 P14780 2/20 0.33
ADAM17 P78536 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MYC P01106 1/20 0.32
MAX P61244 1/20 0.32
LTA4H P09960 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL11216228 0.89 MEN1 (0.37) RAB9AMEN1KMT2ATTRPPOX
SCHEMBL11086226 0.84 TDP1 (0.48) RAB9AMEN1KMT2ATTRPPOX
SCHEMBL11083138 0.82 TDP1 (0.46) RAB9AMEN1KMT2ATTRPPOX
SCHEMBL11087944 0.82 TDP1 (0.53) RAB9AMEN1KMT2ATTRPPOX
SCHEMBL11084674 0.81 TDP1 (0.45) RAB9AMEN1KMT2ATTRPPOX
SCHEMBL11091333 0.79 RAB9A (0.35) RAB9AMEN1KMT2ATTRPPOX
SCHEMBL11085969 0.78 RAB9A (0.40) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11081725 0.77 TDP1 (0.47) MEN1KMT2ATDP1LMNASMN1; SMN2
SCHEMBL11087612 0.76 MEN1 (0.48) RAB9AMEN1KMT2ATTRPPOX
SCHEMBL11192973 0.76 ALDH1A1 (0.54) MEN1KMT2ATTRPPOXTDP1

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-4478634-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1984-10-23 US disclosed
US-4402729-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-06 US disclosed