SCHEMBL11047656

SCHEMBL11047656

CCCCCCN1CCN(Cc2ccc(Nc3nccs3)cc2)C(=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.50
CYP2C9 P11712 1/20 0.37
ADORA2A P29274 1/20 0.37
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HRH1 P35367 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
AURKA O14965 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CFTR P13569 1/20 0.35
SCN9A Q15858 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
PLA2G7 Q13093 1/20 0.34

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
SCHEMBL11047743 0.83 PLA2G2A (0.53) PLA2G2ACFTRMEN1KMT2A
SCHEMBL11050908 0.78 CYP1A1 (0.41) HRH1AURKACYP1A1CYP1A2CYP1B1
SCHEMBL11044784 0.77 PLA2G2A (0.57) PLA2G2AHPGD
SCHEMBL11065378 0.76 PLA2G2A (0.56) PLA2G2AHPGD
SCHEMBL11065373 0.75 PLA2G2A (0.55) PLA2G2AHPGD
SCHEMBL11051562 0.75 PLA2G2A (0.54) PLA2G2A
SCHEMBL11045671 0.74 PLA2G2A (0.56) PLA2G2AHPGDALDH1A1KMT2A
SCHEMBL11047702 0.73 PLA2G2A (0.60) PLA2G2A
SCHEMBL11049729 0.72 PLA2G2A (0.52) PLA2G2ANPSR1SMN1; SMN2AURKAALDH1A1
SCHEMBL11047681 0.72 PLA2G2A (0.56) PLA2G2ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448963-A ANTICARCINOGENS TOYAMA CHEMICAL CO., LTD. (JP) 1984-05-15 US claimed