SCHEMBL11878451

SCHEMBL11878451

CC(C)CSc1ccc(Cl)c(N)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.37
▸ PDE7A Q13946 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.32
▸ VCAM1 P19320 2/20 0.32
▸ PDE7B Q9NP56 1/20 0.31
▸ USP7 Q93009 1/20 0.30
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11876664 0.84 MAPT (0.40) MEN1KMT2AMAPTGPR55ALDH1A1
SCHEMBL11884412 0.79 ALDH1A1 (0.39) MAPTPDE7AALDH1A1TSHRVCAM1
SCHEMBL11881928 0.72 ALDH1A1 (0.48) MAPTALDH1A1TSHRVCAM1HSD17B10
SCHEMBL11876884 0.70 VCAM1 (0.36) MEN1KMT2AALDH1A1TSHRVCAM1
SCHEMBL11877000 0.70 VCAM1 (0.33) MEN1KMT2AALDH1A1TSHRVCAM1
SCHEMBL18814844 0.68 TSHR (0.49) MEN1KMT2AMAPTGPR55PDE7A
SCHEMBL2848439 0.67 TDP1 (0.51) MEN1KMT2AMAPTPDE7AALDH1A1
SCHEMBL23178591 0.66 ALDH1A1 (0.45) MAPTPDE7AALDH1A1TSHRVCAM1
SCHEMBL3798822 0.66 PDE7A (0.47) MEN1KMT2AMAPTPDE7AALDH1A1
SCHEMBL27689498 0.66 LMNA (0.46) MEN1KMT2AMAPTALDH1A1TSHR

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-3966817-A Herbicidal ortho-nitroanilines SHELL OIL COMPANY (US) 1976-06-29 — — US disclosed
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