SCHEMBL9850412

SCHEMBL9850412

NCCNc1cccc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.55
HSP90AB1 P08238 3/20 0.55
CA12 O43570 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
BLM P54132 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NSD2 O96028 1/20 0.54
RECQL P46063 2/20 0.53

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
SCHEMBL522650 0.89 MEN1 (0.59) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL1507837 0.86 MEN1 (0.56) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL9180960 0.83 HTT (0.57) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL14842870 0.83 MEN1 (0.57) HSP90AA1HSP90AB1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9850493 0.81 MEN1 (0.52) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL11149010 0.80 HTT (0.54) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL1907592 0.79 GLO1 (0.60) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8993821 0.79 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL27751330 0.79 HTT (0.53) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL6222568 0.79 KMT2A (0.56) HSP90AA1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118663267-A High-magnification carbon nano tube catalyst and preparation method thereof 温宿县绿深源新材料科技有限公司 2024-09-20 CN claimed
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed