SCHEMBL11601596

SCHEMBL11601596

CCCCOc1nnc2cc(Cl)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.46
PDE2A O00408 9/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDGFRB P09619 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 1/20 0.38
MAT2A P31153 1/20 0.38
P2RX7 Q99572 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11603861 0.94 PDE2A (0.45) PIK3CGPDE2AMEN1KMT2A
SCHEMBL11602806 0.93 PIK3CG (0.41) PIK3CGPDE2AMEN1KMT2AATP4A
SCHEMBL11601656 0.92 PIK3CG (0.47) PIK3CGPDE2AMEN1KMT2AALDH1A1
SCHEMBL11599594 0.86 PIK3CG (0.50) PIK3CGMEN1KMT2AALDH1A1TDP1
SCHEMBL11602557 0.84 PIK3CG (0.49) PIK3CGPDE2AMEN1KMT2AALDH1A1
SCHEMBL11603303 0.79 PIK3CG (0.46) PIK3CGPDE2AMEN1KMT2AALDH1A1
SCHEMBL11602126 0.77 PIK3CG (0.55) PIK3CGPDE2AMEN1KMT2AALDH1A1
SCHEMBL11601650 0.77 PIK3CG (0.47) PIK3CGMEN1KMT2AALDH1A1TDP1
SCHEMBL11602708 0.76 PIK3CG (0.46) PIK3CGMEN1KMT2AALDH1A1NPC1
SCHEMBL11602879 0.75 PIK3CG (0.45) PIK3CGMEN1KMT2AALDH1A1HSD17B10

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-4067981-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed