SCHEMBL9867229

SCHEMBL9867229

CC(COc1ccc(-n2nc3c(cc2=O)COc2ccccc2-3)cc1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
MAOB P27338 6/20 0.36
MAOA P21397 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CA P42336 2/20 0.34

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
SCHEMBL9865164 0.89 MAOB (0.37) HRH3MAOBMAOABCHEACHE
SCHEMBL9865298 0.83 MCHR1 (0.43) TOP1HRH3MAOBMAOABCHE
SCHEMBL9602675 0.83 TOP1 (0.38) TOP1HRH3MAPTALDH1A1SMN1; SMN2
SCHEMBL9867905 0.83 ADRB2 (0.44) MAPT
SCHEMBL9866302 0.81 CYP2D6 (0.45)
SCHEMBL10445029 0.79 MAPT (0.35) HRH3MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9866045 0.78 THRB (0.34) HRH3MAOBMAOAMAPTALDH1A1
SCHEMBL9602093 0.77 HRH3 (0.39) TOP1HRH3ALDH1A1GAA
SCHEMBL9602742 0.76 HRH3 (0.45) HRH3MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL9866493 0.76 HRH3 (0.41) TOP1HRH3MAOBMAOAMAPT

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