SCHEMBL10368016

SCHEMBL10368016

N#Cc1ccc(N2N=C3c4cc(Cl)ccc4CCC3CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.37
PGR P06401 1/20 0.35
F7 P08709 1/20 0.34
PARP1 P09874 1/20 0.34
F3 P13726 1/20 0.34
PARP10 Q53GL7 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B3 P37058 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSD A5PKW4 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP2 O95551 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 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
SCHEMBL10365420 0.87 MAPT (0.41) F7PARP1F3PARP10ALDH1A1
SCHEMBL10367909 0.87 GRM5 (0.36) F7PARP1F3PARP10ALDH1A1
SCHEMBL10366230 0.86 ALDH1A1 (0.37) F7PARP1F3PARP10ALDH1A1
SCHEMBL9601978 0.86 MEN1 (0.35) F7PARP1F3PARP10ALDH1A1
SCHEMBL7287680 0.86 ALDH1A1 (0.43) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL10373828 0.85 KDM4E (0.41) NR3C2PGRALDH1A1MAPT
SCHEMBL10367467 0.83 MAPT (0.44) PARP1PARP10ALDH1A1MEN1LMNA
SCHEMBL10367420 0.82 AMY1A (0.40) ALDH1A1MEN1MAPTKMT2APSD
SCHEMBL10365659 0.82 GRM5 (0.38) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL10368047 0.82 POLB (0.44) ALDH1A1MEN1LMNAMAPTKMT2A

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