SCHEMBL29295442

SCHEMBL29295442

Cc1cc(-c2ccc3ccccc3c2)n[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
ALPL P05186 1/20 0.55
NOTUM Q6P988 1/20 0.48
IKBKB O14920 1/20 0.47
CTRC Q99895 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
GSTP1 P09211 1/20 0.43
PDGFRB P09619 1/20 0.43
CYP1A2 P05177 2/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL31759053 1.00 CA12 (0.56) CA12ALPLNOTUMIKBKBCTRC
SCHEMBL11396912 0.82 L3MBTL1 (0.58) ALPLPDGFRBCYP1A2HRH3KDM4E
SCHEMBL1754740 0.82 L3MBTL1 (0.61) PDGFRBCYP1A2KDM4EMAPTPOLB
SCHEMBL2614322 0.80 L3MBTL1 (0.65) CA12ALPLNOTUMIKBKBCTRC
SCHEMBL14287558 0.77 DYRK1A (0.46) CA12ALPL
SCHEMBL1376033 0.76 GSK3A (0.63) ALPLNOTUMHDAC3HDAC4HDAC1
SCHEMBL1752841 0.76 ALPL (0.54) CA12ALPLHDAC3HDAC4HDAC1
SCHEMBL22130300 0.76 ALPL (0.53) ALPLHRH3KDM4EMAPTPOLB
SCHEMBL17016671 0.76 MAPT (0.59) CA12ALPLHRH3MAPTMAPK1
SCHEMBL1753098 0.76 ALPL (0.53) CA12ALPLHRH3KDM4EMAPT

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
WO-2024148148-A1 PYRIDAZINE BASED SMALL MOLECULE INHIBITOR OF COGNITIVE IMPAIRMENT THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-07-11 WO disclosed