SCHEMBL10366354

SCHEMBL10366354

COc1cccc(N2N=C3c4cc(C)ccc4CCC3CC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.38
GFER P55789 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 0.35
RIPK1 Q13546 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL10365856 0.91 APP (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10367982 0.89 MEN1 (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10367572 0.88 KDM4E (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10365961 0.86 APP (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10365809 0.86 ACHE (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10368102 0.83 KDM4E (0.48) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL10366190 0.82 DRD2 (0.43) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL10366166 0.82 MEN1 (0.43) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL9602844 0.82 ACHE (0.35) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10367467 0.82 MAPT (0.44) MAPTALDH1A1GAAKMT2APTGS1

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
EP-0190367-B1 BENZO ADH BDCINNOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MECIDINAL COMPOSITION CONTAINING THEM Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-17 EP disclosed
US-4782057-A ANTIDOTES FOR OVERSEDATION, ANXIOLYTICS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
EP-0190367-A1 BENZO ADh BDCINNOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MECIDINAL COMPOSITION CONTAINING THEM Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-08-13 EP disclosed