SCHEMBL11045600

SCHEMBL11045600

CCCCCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)C(=O)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.56
KCNH2 Q12809 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KCNJ1 P48048 3/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 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
SCHEMBL11048969 0.85 KDM4E (0.57) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11047702 0.81 PLA2G2A (0.60) PLA2G2ALMNA
SCHEMBL11044784 0.78 PLA2G2A (0.57) PLA2G2AACHELMNANPC1RAB9A
SCHEMBL11065378 0.77 PLA2G2A (0.56) PLA2G2ALMNANPC1RAB9A
SCHEMBL11065373 0.76 PLA2G2A (0.55) PLA2G2ALMNANPC1RAB9A
SCHEMBL31011703 0.76 KDM4E (0.57) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11045671 0.75 PLA2G2A (0.56) PLA2G2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL11049739 0.75 PLA2G2A (0.54) PLA2G2AALDH1A1LMNANPC1RAB9A
SCHEMBL11051562 0.73 PLA2G2A (0.54) PLA2G2ALMNANPC1RAB9A
SCHEMBL23728268 0.73 KDM4E (0.48) KCNH2KDM4EKCNJ1ALDH1A1SMN1; SMN2

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-4477666-A ANTICARCINO GENIC AGENTS TOYAMA CHEMICAL CO., LTD. (JP) 1984-10-16 US disclosed
US-4477664-A CARCINOSTATIC ACTIVITY, LOW TOXICITY, INTERMEDIATES 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