SCHEMBL9866296

SCHEMBL9866296

CC(CN(C)C)Oc1ccc(-n2nc3c(cc2=O)COc2ccc(F)cc2-3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
MAPT P10636 4/20 0.36
THRB P10828 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR3C1 P04150 3/20 0.33
MAPK14 Q16539 1/20 0.33
TOP1 P11387 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9866585 0.90 MCHR1 (0.38) MCHR1MAPTTHRBKDM4EL3MBTL1
SCHEMBL9865298 0.88 MCHR1 (0.43) MCHR1MAPTKDM4EALDH1A1GAA
SCHEMBL9866045 0.88 THRB (0.34) MAPTTHRBKDM4EALDH1A1GAA
SCHEMBL9601577 0.82 MCHR1 (0.37) MCHR1TOP1NOTUM
SCHEMBL9865814 0.81 MCHR1 (0.36) MCHR1TOP1
Fumaric Acid SCHEMBL9603089 0.80 MCHR1 (0.39) MCHR1ALDH1A1GAATOP1MEN1
Fumaric Acid SCHEMBL9603083 0.80 MCHR1 (0.39) MCHR1ALDH1A1GAATOP1MEN1
SCHEMBL9603115 0.79 MCHR1 (0.48) MCHR1MAPTKDM4EALDH1A1GAA
SCHEMBL10445029 0.78 MAPT (0.35) MAPTTHRBKDM4EL3MBTL1MEN1
SCHEMBL9867236 0.78 MCHR1 (0.44) MCHR1MAPTTHRBKDM4EALDH1A1

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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed