SCHEMBL9552009

SCHEMBL9552009

CCC(C)(OC(=O)c1cc(Oc2c(F)c(F)c(C)c(Cl)c2F)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TTR P02766 1/20 0.39
▸ PPOX P50336 1/20 0.39
▸ WDR5 P61964 5/20 0.35
▸ MAPT P10636 5/20 0.34
▸ POLB P06746 1/20 0.34
▸ USP10 Q14694 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL9552008 0.81 TDP1 (0.44) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9555718 0.80 SMN1; SMN2 (0.42) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11114839 0.78 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7148282 0.78 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11266141 0.76 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11213666 0.76 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9120594 0.75 MEN1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10877259 0.74 ALDH1A1 (0.42) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11272565 0.73 TDP1 (0.41) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11190333 0.73 TDP1 (0.43) 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-5189169-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 — — US disclosed
US-5084083-A Phenylthiazolecarboxylic acid derivative herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 — — US disclosed
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