SCHEMBL8864058

SCHEMBL8864058

CC(=O)n1nc(CN2CCc3ccccc3C2)c2ccc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TNF P01375 1/20 0.44
RAB9A P51151 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
HTR2B P41595 2/20 0.43
HRH1 P35367 1/20 0.43
CD44 P16070 1/20 0.42
PRMT5 O14744 5/20 0.42
WDR77 Q9BQA1 3/20 0.42
SLC6A4 P31645 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL8631068 0.73 PDGFRA (0.46) MEN1KMT2A
SCHEMBL8633263 0.73 SMO (0.48) MEN1KMT2AHTR7ALDH1A1MAPK1
SCHEMBL8299446 0.71 ADRA1D (0.48) KMT2AHTR1ADRD2HTR2AHTR7
SCHEMBL8797687 0.71 KDM4E (0.49) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL1574406 0.70 HPGD (0.50) MEN1KMT2ARAB9AALDH1A1NOTUM
SCHEMBL8303856 0.67 PDGFRA (0.47) ALDH1A1TSHRNOTUM
SCHEMBL9393050 0.67 ALDH1A1 (0.45) MEN1KMT2AHTR1AHTR2AHTR7
SCHEMBL1719867 0.67 KDM4E (0.61) MEN1KMT2ATNFRAB9ANOD2
SCHEMBL30324527 0.66 HDAC1 (0.51) MEN1KMT2ATNFRAB9ANOD2
SCHEMBL8872939 0.65 ADRA1D (0.60) HTR1ADRD2HTR2AHTR7DRD3

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
US-5665732-A Indazole derivatives MERCK, SHARP & DOHME LTD. (GB) 1997-09-09 US disclosed
EP-0701555-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-03-20 EP disclosed
WO-1994021626-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO disclosed