SCHEMBL8916092

SCHEMBL8916092

CCOC(=O)CCCN(CCCC(=O)OCC)CCSc1ccnc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
NSD2 O96028 1/20 0.53
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.44
LMNA P02545 4/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8916642 0.98 MAPT (0.53) MAPTALDH1A1KDM4ENSD2ABL1
SCHEMBL8916071 0.97 MAPT (0.53) MAPTALDH1A1KDM4ENSD2ABL1
SCHEMBL8916190 0.96 RAB9A (0.51) MAPTALDH1A1KDM4ENSD2ABL1
SCHEMBL8918009 0.94 MAPT (0.50) MAPTALDH1A1KDM4ENSD2ABL1
SCHEMBL8914446 0.94 MAPT (0.49) MAPTALDH1A1KDM4ENSD2ABL1
SCHEMBL8916204 0.92 MAPT (0.49) MAPTALDH1A1KDM4ENSD2ABL1
SCHEMBL8915629 0.92 MAPT (0.49) MAPTALDH1A1KDM4ENSD2ABL1
SCHEMBL8915217 0.92 CYP1A2 (0.50) MAPTALDH1A1KDM4ENSD2ABL1
SCHEMBL8914856 0.91 MAPT (0.49) MAPTALDH1A1KDM4ENSD2ABL1
SCHEMBL8917969 0.90 NPC1 (0.49) MAPTALDH1A1KDM4ENSD2ABL1

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-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed