SCHEMBL9850374

SCHEMBL9850374

O=C(CNc1cccc2cccnc12)NCCNc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MAPT P10636 6/20 0.52
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
POLB P06746 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47

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
Hydrochloric Acid SCHEMBL9850592 0.80 BCHE (0.52) CA12CA4CA7CA9CA14
SCHEMBL522650 0.77 MEN1 (0.59) MAPTKDM4ESMN1; SMN2POLBTDP1
SCHEMBL9850363 0.76 CA12 (0.70) CA12CA4CA7CA9CA14
SCHEMBL29564430 0.75 CA12 (0.68) CA12CA4CA7CA9CA14
SCHEMBL3931597 0.75 CA12 (0.68) CA12CA4CA7CA9CA14
SCHEMBL4062506 0.75 CA12 (0.51) CA12CA4CA7CA9CA14
SCHEMBL6982393 0.75 POLB (0.62) MAPTKDM4ESMN1; SMN2POLBTDP1
SCHEMBL18668615 0.74 HDAC6 (0.74) MAPTKDM4EBCHEACHEPOLB
SCHEMBL15986931 0.74 CA12 (0.67) CA12CA4CA7CA9CA14
SCHEMBL3655465 0.73 CA12 (0.74) CA12CA4CA7CA9CA14

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
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed