SCHEMBL11833853

SCHEMBL11833853

CNC(=O)Nc1ccc(Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.55
▸ KMT2A Q03164 9/20 0.55
▸ GAA P10253 3/20 0.55
▸ PKM P14618 1/20 0.55
▸ MAPT P10636 6/20 0.49
▸ LMNA P02545 5/20 0.49
▸ HTT P42858 3/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MYOC Q99972 1/20 0.48
▸ MERTK Q12866 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ CXCR2 P25025 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ ALDH3A1 P30838 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ XBP1 P17861 1/20 0.43

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
SCHEMBL11831461 0.85 MEN1 (0.53) MEN1KMT2AGAAPKMMAPT
SCHEMBL11839569 0.83 PDE7A (0.60) MEN1KMT2AGAAPKMMAPT
SCHEMBL11833629 0.81 PDE7A (0.53) MEN1KMT2AGAAPKMMAPT
SCHEMBL11832321 0.80 MEN1 (0.62) MEN1KMT2AGAAPKMMAPT
SCHEMBL11826914 0.79 MAPT (0.65) MEN1KMT2AGAAPKMMAPT
SCHEMBL11837503 0.77 ALDH1A1 (0.59) MEN1KMT2AGAAPKMMAPT
SCHEMBL11830737 0.75 MEN1 (0.82) MEN1KMT2AGAAMAPTLMNA
SCHEMBL10977063 0.75 TDP1 (0.56) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL11832700 0.75 MEN1 (0.59) MEN1KMT2AGAAPKMMAPT
SCHEMBL11780140 0.73 ALDH3A1 (0.54) MEN1KMT2AGAAPKMMAPT

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-3933814-A ANTIPROTOZOA, ANTICOCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 — — US disclosed
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