SCHEMBL28910494

SCHEMBL28910494

C#CCOc1cc(C=O)ccc1OC(N=N)=NN

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ FDPS P14324 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE4B Q07343 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TACR2 P21452 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.33

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
SCHEMBL19640069 0.77 ALOX5 (0.51) ALDH1A1LMNAFDPSKMT2APDE4B
SCHEMBL19640094 0.75 ALDH1A1 (0.47) ALDH1A1LMNAFDPSKMT2APDE4B
SCHEMBL19655519 0.74 ALDH1A1 (0.44) ALDH1A1LMNAFDPSKMT2APDE4B
SCHEMBL1231147 0.74 FDPS (0.69) ALDH1A1LMNACA12CA2CA9
SCHEMBL29924333 0.74 FDPS (0.69) ALDH1A1LMNACA12CA2CA9
SCHEMBL433948 0.74 ALDH1A1 (0.64) ALDH1A1LMNACA12CA2CA9
SCHEMBL8194204 0.74 PDE4B (0.44) ALDH1A1LMNACA12CA2CA9
SCHEMBL20982802 0.73 FDPS (0.42) ALDH1A1LMNACA12CA2CA9
SCHEMBL1889208 0.73 FDPS (0.51) ALDH1A1LMNAFDPSKMT2APDE4B
SCHEMBL12723248 0.72 PDE4B (0.45) ALDH1A1LMNACA12CA2CA9

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
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
Send feedback