SCHEMBL27503546

SCHEMBL27503546

[N-]=[N+]=NCNC(=O)c1c(N=[N+]=[N-])c2ccccc2oc1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36

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
SCHEMBL15542047 0.73 KDM4E (0.49) SMN1; SMN2ALDH1A1KDM4EMAPTCA12
SCHEMBL15541690 0.70 KDM4E (0.53) SMN1; SMN2ALDH1A1KDM4EMAPTCA12
SCHEMBL16863152 0.70 KDM4E (0.53) SMN1; SMN2ALDH1A1KDM4EMAPTCA12
SCHEMBL29950209 0.70 KDM4E (0.53) SMN1; SMN2ALDH1A1KDM4EMAPTCA12
SCHEMBL30129469 0.66 ALDH1A1 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL2761489 0.64 CA12 (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTCA12
SCHEMBL8005054 0.62 GAA (0.57) ALDH1A1KDM4EMAPTCA12CA9
SCHEMBL26981026 0.62 CA12 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL20438074 0.61 PPARG (0.54) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL17022691 0.61 LMNA (0.56) SMN1; SMN2ALDH1A1KDM4EMAPTCA12

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-1230178-A Polydithiocarbamate-containing macromolecules and use thereof for therapeutic and diagnostic applications MEDINOX INC (US) 1999-09-29 — — CN disclosed
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