SCHEMBL11091007

SCHEMBL11091007

CCCCC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)NCC1OCCO1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TTR P02766 1/20 0.49
PPOX P50336 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 3/20 0.38
FFAR1 O14842 5/20 0.38
LMNA P02545 5/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.37
UBLCP1 Q8WVY7 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PPARG P37231 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL11080021 0.97 TDP1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11081834 0.93 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11090276 0.88 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11087944 0.88 TDP1 (0.53) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11084866 0.88 TDP1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11086654 0.85 TDP1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11083646 0.83 MEN1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11084674 0.82 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11087930 0.81 TDP1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11086226 0.81 TDP1 (0.48) TDP1MEN1KMT2ATTRPPOX

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