SCHEMBL9866045

SCHEMBL9866045

CC(COc1ccc(-n2nc3c(cc2=O)COc2ccc(F)cc2-3)cc1)CN(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.34
MAPT P10636 3/20 0.34
MAPK14 Q16539 4/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
HTR2B P41595 1/20 0.33
MAOA P21397 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
SCHEMBL10445029 0.91 MAPT (0.35) THRBMAPTKDM4EMEN1CYP1A2
SCHEMBL9865164 0.89 MAOB (0.37) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL9866296 0.88 MCHR1 (0.37) THRBMAPTMAPK14KDM4EALDH1A1
SCHEMBL9602742 0.79 HRH3 (0.45) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL10445204 0.78 HRH3 (0.42) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9866585 0.78 MCHR1 (0.38) THRBMAPTKDM4EMEN1CYP1A2
SCHEMBL9866081 0.78 HRH3 (0.33) HRH3NR3C1
SCHEMBL9867229 0.78 TOP1 (0.40) MAPTKDM4EALDH1A1GAANPC1
SCHEMBL9866371 0.77 HRH3 (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9602962 0.77 HRH3 (0.36) MAPTKDM4EALDH1A1MEN1NPC1

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