SCHEMBL11047681

SCHEMBL11047681

CCCCCCN1CCN(Cc2ccc(NC3NCCN3)cc2)C(=O)C1=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 14/20 0.56
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
P2RX7 Q99572 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
SCHEMBL11044784 0.81 PLA2G2A (0.57) PLA2G2ATP53LMNAS1PR1P2RX7
SCHEMBL11065378 0.80 PLA2G2A (0.56) PLA2G2ATP53LMNAS1PR1P2RX7
SCHEMBL11065373 0.79 PLA2G2A (0.55) PLA2G2ATP53LMNAS1PR1SPHK1
SCHEMBL11045671 0.78 PLA2G2A (0.56) PLA2G2AKMT2ALMNA
SCHEMBL11047702 0.76 PLA2G2A (0.60) PLA2G2ALMNAS1PR1P2RX7
SCHEMBL11051562 0.76 PLA2G2A (0.54) PLA2G2ALMNAS1PR1SPHK1
SCHEMBL11047743 0.75 PLA2G2A (0.53) PLA2G2AMEN1KMT2AS1PR1
SCHEMBL11045600 0.72 PLA2G2A (0.56) PLA2G2ASMN1; SMN2LMNA
SCHEMBL11047656 0.72 PLA2G2A (0.50) PLA2G2AMEN1KMT2ASMN1; SMN2
SCHEMBL11049729 0.71 PLA2G2A (0.52) PLA2G2AMEN1KMT2ASMN1; SMN2LMNA

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