SCHEMBL8170482

SCHEMBL8170482

CNc1ccc(Nc2cccc(C)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.73
EGFR P00533 3/20 0.53
ERBB2 P04626 1/20 0.53
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 2/20 0.50
HPGD P15428 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NFKB1 P19838 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
AR P10275 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KCNH3 Q9ULD8 1/20 0.45
SAE1 Q9UBE0 1/20 0.45

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
SCHEMBL13644736 1.00 NPSR1 (0.73) NPSR1EGFRERBB2MAPTHTT
SCHEMBL30145137 0.91 NPSR1 (0.86) NPSR1EGFRMAPTHTTCYP1A2
SCHEMBL1922070 0.91 NPSR1 (0.86) NPSR1EGFRMAPTHTTCYP1A2
SCHEMBL10523964 0.91 NPSR1 (0.86) NPSR1EGFRMAPTHTTCYP1A2
SCHEMBL3040701 0.87 NPSR1 (0.79) NPSR1MAPTHTTCYP1A2HPGD
SCHEMBL11502241 0.87 NPSR1 (0.79) NPSR1MAPTHTTCYP1A2HPGD
SCHEMBL19866508 0.87 NPSR1 (0.95) NPSR1MAPTHTTCYP1A2HPGD
SCHEMBL1009206 0.87 NPSR1 (0.86) NPSR1EGFRMAPTHTTCYP1A2
SCHEMBL29650380 0.87 NPSR1 (0.86) NPSR1EGFRMAPTHTTCYP1A2
SCHEMBL513478 0.85 NPSR1 (0.76) NPSR1MAPTHTTCYP1A2HPGD

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-6080929-A Stabilized filler compositions for cable and wire UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-06-27 US disclosed