SCHEMBL11830737

SCHEMBL11830737

CNC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.82
KMT2A Q03164 7/20 0.82
MAPT P10636 6/20 0.82
NPC1 O15118 3/20 0.82
MAPK1 P28482 2/20 0.82
RAB9A P51151 2/20 0.82
NPSR1 Q6W5P4 1/20 0.82
MYOC Q99972 1/20 0.82
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
PTGES O14684 1/20 0.57
POLB P06746 2/20 0.57
ALDH1A1 P00352 3/20 0.56
F13A1 P00488 1/20 0.55
GAA P10253 1/20 0.55
RAF1 P04049 1/20 0.54

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
SCHEMBL11004478 0.91 MEN1 (1.00) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL9285911 0.91 KMT2A (0.79) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11839306 0.86 MAPT (0.62) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11838723 0.86 MEN1 (0.85) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11837226 0.85 MEN1 (0.78) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11837944 0.85 MEN1 (0.82) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11027238 0.85 MEN1 (0.88) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11832409 0.85 MEN1 (0.88) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL9367406 0.84 KMT2A (0.77) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11832321 0.84 MEN1 (0.62) MEN1KMT2AMAPTNPC1MAPK1

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