SCHEMBL8840985

SCHEMBL8840985

Cc1ccc(N2N=C3c4cc(CCO)sc4CCC3CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.34
BCHE P06276 1/20 0.34
GAA P10253 1/20 0.32
EP300 Q09472 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTR1A P08908 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAOB P27338 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL8841001 0.88 BCHE (0.31) ACHEBCHEEP300HDAC6MAPT
SCHEMBL9411277 0.82 GABRP (0.38) ACHEBCHEGAAEP300HDAC6
SCHEMBL8840975 0.82 NPC1 (0.32) ACHEBCHEGAAEP300HDAC6
SCHEMBL8840946 0.81 EP300 (0.33) ACHEBCHEGAAEP300HDAC6
SCHEMBL9738208 0.81 GAA (0.34) GAAEP300HDAC6MAPTPOLB
SCHEMBL8840997 0.78 KMT2A (0.33) GAAEP300HDAC6MAPTPOLB
SCHEMBL8840999 0.78 ACHE (0.47) ACHEBCHEGAAHTR1AMAPT
SCHEMBL8840963 0.75 GABRP (0.47) ACHEBCHEEP300HDAC6MAPT
SCHEMBL8840969 0.75 MAPT (0.38) ACHEBCHEEP300HDAC6MAPT
SCHEMBL10365809 0.74 ACHE (0.38) ACHEGAAMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601184-A1 FUSED PYRIDAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-15 EP claimed
US-5597918-A ANXIOLYTIC AGENTS, SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-28 US disclosed
EP-0601184-A1 FUSED PYRIDAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-15 EP disclosed