SCHEMBL10874835

SCHEMBL10874835

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ TTR P02766 1/20 0.55
▸ PPOX P50336 1/20 0.55
▸ FFAR1 O14842 3/20 0.43
▸ LMNA P02545 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37

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
SCHEMBL10943534 0.93 MEN1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10949055 0.88 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10948291 0.88 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10949685 0.85 MEN1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10873581 0.85 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10948614 0.84 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10950904 0.84 MEN1 (0.53) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10875493 0.84 MEN1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10875495 0.84 MEN1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10944416 0.84 TDP1 (0.56) 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
EP-0177591-A1 NOVEL PHOSPHINATES SANDOZ AG (CH) 1986-04-16 — — EP disclosed
WO-1985004661-A1 NOVEL PHOSPHINATES SANDOZ AG (CH) 1985-10-24 — — WO disclosed
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