SCHEMBL11831461

SCHEMBL11831461

CNC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ MAPT P10636 6/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MYOC Q99972 1/20 0.53
▸ LMNA P02545 5/20 0.48
▸ GAA P10253 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ CXCR2 P25025 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RAF1 P04049 3/20 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
SCHEMBL11834191 0.88 KDR (0.45) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL5857091 0.87 KMT2A (0.63) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL11833853 0.85 MEN1 (0.55) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL14022021 0.81 RAF1 (0.56) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL11826914 0.81 MAPT (0.65) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL11839569 0.81 PDE7A (0.60) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL11830737 0.80 MEN1 (0.82) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL9192519 0.79 MAPK1 (0.62) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL11839306 0.79 MAPT (0.62) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL11833629 0.78 PDE7A (0.53) MEN1KMT2AMAPTNPSR1LMNA

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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