SCHEMBL11048969

SCHEMBL11048969

O=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 3/20 0.55
KCNJ1 P48048 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.50
P2RX4 Q99571 1/20 0.49

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
SCHEMBL31011703 0.89 KDM4E (0.57) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL11045600 0.85 PLA2G2A (0.56) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL30109416 0.84 KDM4E (0.49) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL29283174 0.81 ALDH1A1 (0.61) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL4572872 0.80 L3MBTL1 (0.58) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL5625428 0.80 L3MBTL1 (0.62) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL23728268 0.80 KDM4E (0.48) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL9511103 0.79 KDM4E (0.57) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL260552 0.79 KCNJ1 (0.56) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL27784071 0.79 L3MBTL1 (0.65) KDM4EALDH1A1KCNJ1LMNAMAPT

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