SCHEMBL9013232

SCHEMBL9013232

CN(C)c1cc(=O)c(OCc2ccccc2)cn1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 3/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
CYP19A1 P11511 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
GSTP1 P09211 1/20 0.39
MCHR1 Q99705 1/20 0.39
FOLH1 Q04609 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL16744408 0.81 MAPT (0.47) BRD4MAPTMAPK1TDP1L3MBTL1
SCHEMBL13555537 0.81 MCHR1 (0.45) BRD4MAPTMAPK1TDP1L3MBTL1
SCHEMBL1077539 0.79 BRD4 (0.41) BRD4CYP19A1ALDH1A1
SCHEMBL2118516 0.78 MAPT (0.41) BRD4MAPTMAPK1TDP1L3MBTL1
SCHEMBL13555540 0.78 MAPK14 (0.46) BRD4MAPTMAPK1TDP1L3MBTL1
SCHEMBL2115801 0.78 SRD5A2 (0.51) BRD4SRD5A1SRD5A2FOLH1
SCHEMBL13555553 0.78 BRD4 (0.44) BRD4MAPTMAPK1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL13386403 0.77 MAPK14 (0.45) BRD4MAPTMAPK1TDP1L3MBTL1
SCHEMBL2468322 0.73 PTGER1 (0.43) CYP19A1
SCHEMBL987713 0.73 PDK1 (0.41) BRD4MAPK14SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed