SCHEMBL8915783

SCHEMBL8915783

CN(C)CC(=O)c1cc2c(s1)CCCNC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.36
DBF4 Q9UBU7 1/20 0.36
PARP1 P09874 4/20 0.33
ALDH1A1 P00352 4/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 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
SCHEMBL8917854 0.86 PARP1 (0.35) CDC7DBF4PARP1ALDH1A1GABRP
SCHEMBL8917631 0.79 CDC7 (0.35) CDC7DBF4ALDH1A1GABRPGABRD
SCHEMBL8918036 0.73 CYP2C19 (0.50) ALDH1A1DAOMCL1TDP1L3MBTL1
SCHEMBL8917048 0.71 MEN1 (0.46) CDC7DBF4PARP1ALDH1A1TDP1
SCHEMBL27153587 0.68 ALDH1A1 (0.45) CDC7DBF4PARP1ALDH1A1TDP1
SCHEMBL23142164 0.68 CDC7 (0.44) CDC7DBF4PARP1CDK1MAPKAPK2
SCHEMBL18304962 0.68 CDC7 (0.44) CDC7DBF4PARP1ALDH1A1CDK1
SCHEMBL25222583 0.62 CDC7 (0.36) CDC7DBF4PARP1TDP1HSP90AA1
SCHEMBL18538442 0.62 GSK3B (0.31)
SCHEMBL12241446 0.62 CDC7 (0.54) CDC7DBF4PARP1PNMTMEN1

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-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed