SCHEMBL8429888

SCHEMBL8429888

[CH2]C(C)CSc1cnc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
HRH4 Q9H3N8 7/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
FKBP5 Q13451 1/20 0.34
AOC1 P19801 1/20 0.34
PKM P14618 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL8633118 0.79 PKM (0.37) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL4685250 0.79 HRH3 (0.36) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL8427871 0.68 HRH3 (0.36) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL7285552 0.67
SCHEMBL6600780 0.67
SCHEMBL6169087 0.67 HRH3 (0.47) HRH3HRH4ALDH1A1CYP1A2LMNA
SCHEMBL9601465 0.66
SCHEMBL10934277 0.66
SCHEMBL7200668 0.65 ALDH1A1 (0.43) HRH3HRH4ALDH1A1LMNAAPEX1
SCHEMBL4683083 0.63 HRH3 (0.35) HRH3HRH4ALDH1A1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 EP disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 EP disclosed
EP-0655992-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed