SCHEMBL11441106

SCHEMBL11441106

O=[N+]([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.66
▸ BCL6 P41182 1/20 0.65
▸ BCOR Q6W2J9 1/20 0.65
▸ MEN1 O00255 7/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ MAPT P10636 7/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ ARNT P27540 1/20 0.52
▸ EPAS1 Q99814 1/20 0.52
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ GFER P55789 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL11333871 0.86 BCL6 (0.63) HSD17B10BCL6BCORMEN1KMT2A
SCHEMBL11345660 0.83 HSD17B10 (0.51) HSD17B10BCL6BCORMEN1KMT2A
SCHEMBL15902994 0.83 MAPT (0.68) HSD17B10BCL6BCORMEN1KMT2A
SCHEMBL16147834 0.82 BCL6 (0.59) HSD17B10BCL6BCORMEN1KMT2A
SCHEMBL29360183 0.81 HSD17B10 (1.00) HSD17B10MEN1KMT2AMAPTTDP1
SCHEMBL85918 0.81 HSD17B10 (1.00) HSD17B10MEN1KMT2AMAPTTDP1
SCHEMBL9225897 0.81 BCL6 (0.57) HSD17B10BCL6BCORMEN1KMT2A
SCHEMBL28911673 0.80 MEN1 (0.57) BCL6BCORMEN1KMT2AMAPT
SCHEMBL29495133 0.79 GUCY1B2 (0.69) HSD17B10BCL6BCORMEN1KMT2A
SCHEMBL13898947 0.79 GUCY1B2 (0.69) HSD17B10BCL6BCORMEN1KMT2A

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
US-4181519-A Diphenylamine derivative herbicides SHELL OIL COMPANY (US) 1980-01-01 — — US disclosed
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