SCHEMBL28799922

SCHEMBL28799922

CC(=O)Oc1c2ccccc2nn1CCN=[N+]=[N-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ MPO P05164 7/20 0.44
▸ ALDH1A1 P00352 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ TLR8 Q9NR97 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
SCHEMBL27882430 0.81 ATM (0.51) ATMMPOALDH1A1NPC1RAB9A
SCHEMBL27763782 0.79 ATM (0.51) ATMMPOALDH1A1NPC1RAB9A
SCHEMBL28799923 0.75 SRC (0.37) ATMMPOSMN1; SMN2PTGER4SRC
SCHEMBL27745442 0.74 ATM (0.44) ATMMPOALDH1A1NPC1RAB9A
SCHEMBL27882435 0.72 BCHE (0.46) ATMMPONPC1RAB9AMEN1
SCHEMBL27654482 0.68 MPO (0.65) MPOALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL205462 0.65 MPO (0.60) ATMMPOALDH1A1HPGDCYP2C9
SCHEMBL18073164 0.62 MPO (0.91) ATMMPOALDH1A1HPGDCYP2C9
SCHEMBL17981714 0.62 MPO (0.46) ATMMPOALDH1A1PTGER4KDM4E
SCHEMBL27669281 0.62 PTGER4 (0.50) ALDH1A1SMN1; SMN2HPGDPTGER4

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-102812028-B Tricyclic indazole compounds, process for their preparation and pharmaceutical compositions containing them ACRAF 2014-11-12 — — CN disclosed
CN-102812028-A Tricyclic indazole compounds, process for their preparation and pharmaceutical compositions containing them ACRAF 2012-12-05 — — CN disclosed
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