SCHEMBL8437804

SCHEMBL8437804

CNc1cccc(C)c1.CNc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 4/20 0.46
CYP1A2 P05177 2/20 0.46
HTT P42858 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
DDX3X O00571 2/20 0.45
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 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
Hydrochloric Acid SCHEMBL8437803 0.98 NPSR1 (0.48) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL306337 0.84
SCHEMBL29697291 0.84
Hydrochloric Acid SCHEMBL2872234 0.82 MAPT (0.58) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL3690304 0.81 NPSR1 (0.64) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL29370546 0.79
SCHEMBL172153 0.79
SCHEMBL14952480 0.78 NPSR1 (0.60) NPSR1MAPTCYP1A2HTTCYP3A4
Hydrochloric Acid SCHEMBL2862264 0.77 MAPT (0.54) NPSR1MAPTHTTCYP3A4HSD17B10
Phosphine SCHEMBL9401959 0.77 MAPT (0.54) NPSR1MAPTHTTHSD17B10TSHR

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-5906955-A Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORPORATION (JP) 1999-05-25 US disclosed