SCHEMBL8840997

SCHEMBL8840997

CC(=O)OCC(=O)c1cc2c(s1)CCC1CC(=O)N(c3ccc(C)cc3)N=C21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 3/20 0.32
EP300 Q09472 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 2/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8840946 0.87 EP300 (0.33) KMT2AMAPTEP300HDAC6NPC1
SCHEMBL9411277 0.87 GABRP (0.38) KMT2ALMNAMAPTEP300HDAC6
SCHEMBL8841001 0.84 BCHE (0.31) KMT2AMAPTEP300HDAC6NPC1
SCHEMBL8840969 0.81 MAPT (0.38) KMT2ALMNAMAPTEP300HDAC6
SCHEMBL8840963 0.79 GABRP (0.47) KMT2ALMNAMAPTEP300HDAC6
SCHEMBL9411313 0.79 MAPT (0.39) KMT2ALMNAMAPTNPC1MEN1
SCHEMBL8840985 0.78 ACHE (0.34) MAPTEP300HDAC6NPC1GAA
SCHEMBL8840975 0.76 NPC1 (0.32) MAPTEP300HDAC6NPC1GAA
SCHEMBL9738208 0.76 GAA (0.34) KMT2AMAPTEP300HDAC6NPC1
SCHEMBL8840956 0.74 GABRP (0.50) KMT2ALMNAMAPTEP300HDAC6

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