SCHEMBL30777869

SCHEMBL30777869

O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cc(Oc2cccnc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ TTR P02766 1/20 0.47
▸ PPOX P50336 1/20 0.47
▸ ATF1 P18846 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ P2RX1 P51575 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.41
▸ PNLIP P16233 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ AGTR1 P30556 1/20 0.40

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
SCHEMBL17530358 1.00 KMT2A (0.47) KMT2AMEN1TDP1TTRPPOX
SCHEMBL17542402 0.96 TDP1 (0.44) KMT2AMEN1TDP1TTRPPOX
SCHEMBL30777864 0.87 ATF1 (0.47) ATF1NFKB1P2RX1PNLIP
SCHEMBL17530353 0.87 ATF1 (0.47) ATF1NFKB1P2RX1PNLIP
SCHEMBL30777867 0.87 ATF1 (0.47) ATF1NFKB1P2RX1PNLIP
SCHEMBL17530354 0.82 TDP1 (0.59) KMT2AMEN1TDP1TTRPPOX
SCHEMBL12303379 0.81 TDP1 (0.55) KMT2AMEN1TDP1TTRPPOX
SCHEMBL17530347 0.81 ATF1 (0.43) KMT2AMEN1ATF1NFKB1PPARG
SCHEMBL17530350 0.79 SIRT6 (0.56) KMT2AMEN1TDP1TTRPPOX
SCHEMBL21524954 0.79 BRAF (0.40) KMT2AMEN1ATF1NFKB1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3792251-B1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS ELANCO TIERGESUNDHEIT AG (CH) 2024-02-14 — — EP disclosed
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