SCHEMBL11047743

SCHEMBL11047743

CCCCCCN1CCN(Cc2ccc(Nc3ncccn3)cc2)C(=O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.53
CACNA2D1 P54289 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
CFTR P13569 1/20 0.37
CDC25B P30305 1/20 0.36
JAK2 O60674 1/20 0.36
HTT P42858 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPT P10636 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11050060 0.87 P2RX7 (0.40) CACNA2D1JAK2
SCHEMBL11044512 0.83 L3MBTL1 (0.46) KMT2A
SCHEMBL11047656 0.83 PLA2G2A (0.50) PLA2G2ACFTRMEN1KMT2A
SCHEMBL11044784 0.81 PLA2G2A (0.57) PLA2G2ACACNA2D1S1PR1
SCHEMBL11065378 0.80 PLA2G2A (0.56) PLA2G2ACACNA2D1S1PR1
SCHEMBL11065373 0.79 PLA2G2A (0.55) PLA2G2AS1PR1
SCHEMBL11071635 0.79 PLA2G2A (0.53) PLA2G2ACACNA2D1S1PR1
SCHEMBL11045671 0.78 PLA2G2A (0.56) PLA2G2AKMT2A
SCHEMBL11049729 0.77 PLA2G2A (0.52) PLA2G2AHTTMAPTMEN1KMT2A
SCHEMBL11044711 0.77 P2RX7 (0.49)

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