SCHEMBL25656332

SCHEMBL25656332

Cc1ccc(-c2cc(C)cc(Nc3cccc(C)c3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 6/20 0.44
HTT P42858 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
CCR4 P51679 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL21537862 0.88 NPSR1 (0.53) NPSR1MAPTHTTCYP1A2CYP3A4
SCHEMBL9187684 0.84 NPSR1 (0.71) NPSR1MAPTHTTCYP1A2CYP3A4
SCHEMBL29795362 0.83 NPSR1 (0.70) NPSR1MAPTHTTCYP1A2CYP3A4
SCHEMBL1005225 0.83 NPSR1 (0.70) NPSR1MAPTHTTCYP1A2CYP3A4
SCHEMBL29370449 0.83 NPSR1 (0.76) NPSR1MAPTHTTCYP1A2CYP3A4
SCHEMBL21808588 0.83 HPGD (0.52) NPSR1MAPTHPGDXDHSLC22A12
SCHEMBL513478 0.83 NPSR1 (0.76) NPSR1MAPTHTTCYP1A2CYP3A4
SCHEMBL9185081 0.82 NPSR1 (0.75) NPSR1MAPTHTTCYP1A2CYP3A4
SCHEMBL30661288 0.82 NPSR1 (0.75) NPSR1MAPTHTTCYP1A2CYP3A4
SCHEMBL11502241 0.81 NPSR1 (0.79) NPSR1MAPTHTTCYP1A2CYP3A4

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
EP-3561892-B1 ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO LTD (KR) 2023-05-10 EP disclosed