SCHEMBL11050145

SCHEMBL11050145

O=C1C(=O)N(Cc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)CCN1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
MAPT P10636 7/20 0.62
LMNA P02545 1/20 0.62
ALOX12 P18054 1/20 0.53
RAB9A P51151 6/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 4/20 0.50
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PABPC1 P11940 1/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL11052061 0.82 MET (0.49) MAPTL3MBTL1
SCHEMBL913813 0.78 MEN1 (1.00) MEN1KMT2AMAPTLMNAALOX12
Methane SCHEMBL27598399 0.77 MEN1 (0.97) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL11048969 0.75 KDM4E (0.57) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11048463 0.74 MET (0.43) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11044512 0.74 L3MBTL1 (0.46) KMT2AALDH1A1POLBL3MBTL1
SCHEMBL5800553 0.73 MEN1 (0.73) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL20303457 0.73 KMT2A (0.64) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL2393208 0.71 MAPT (0.68) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL11049173 0.70 HDAC6 (0.45) KMT2ALMNARAB9AALDH1A1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4477664-A CARCINOSTATIC ACTIVITY, LOW TOXICITY, INTERMEDIATES TOYAMA CHEMICAL CO., LTD. (JP) 1984-10-16 US disclosed
US-4477666-A ANTICARCINO GENIC AGENTS TOYAMA CHEMICAL CO., LTD. (JP) 1984-10-16 US disclosed
US-4460774-A ANTICARCINOGENIC AGENTS TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1984-07-17 US disclosed
US-4448963-A ANTICARCINOGENS TOYAMA CHEMICAL CO., LTD. (JP) 1984-05-15 US disclosed
US-4436921-A CARCINOSTATIC ACTIVITY TOYAMA CHEMICAL CO., LTD. (JP) 1984-03-13 US disclosed