SCHEMBL6302417

SCHEMBL6302417

O=C(Nc1ccc(-c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.89
KMT2A Q03164 8/20 0.89
MAPT P10636 6/20 0.72
NPC1 O15118 5/20 0.72
RAB9A P51151 4/20 0.72
MAPK1 P28482 3/20 0.72
NPSR1 Q6W5P4 1/20 0.72
MYOC Q99972 1/20 0.72
SMN1; SMN2 Q16637 3/20 0.70
LMNA P02545 2/20 0.70
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
PTGES O14684 1/20 0.59
POLB P06746 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
APEX1 P27695 1/20 0.59

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
SCHEMBL6302157 0.94 MEN1 (1.00) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1177730 0.94 MEN1 (1.00) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17289271 0.87 KMT2A (0.67) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11055960 0.87 MEN1 (0.85) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL18825691 0.85 MEN1 (0.82) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1311708 0.85 MEN1 (0.82) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4115432 0.85 MEN1 (0.82) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL16005844 0.85 MEN1 (0.81) MEN1KMT2AMAPTNPC1RAB9A
Diphenylurea SCHEMBL27302793 0.85 MEN1 (0.81) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3460442 0.84 MEN1 (0.79) MEN1KMT2AMAPTNPC1RAB9A

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-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed