SCHEMBL8916205

SCHEMBL8916205

CCc1cc(C(C)(C)c2cc(C)c(N)c(C)c2)cc(CC)c1N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
KIF11 P52732 1/20 0.36
ESR1 P03372 3/20 0.32
ESR2 Q92731 2/20 0.32
KLF10 Q13118 1/20 0.32
HTR1D P28221 1/20 0.31

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
SCHEMBL7639936 0.94 ALDH1A1 (0.47) POLBHTTALDH1A1MAPTTP53
SCHEMBL6518281 0.92 HTT (0.47) POLBHTTALDH1A1MAPTCYP3A4
SCHEMBL8840306 0.89 HTT (0.44) POLBHTTALDH1A1MAPTTP53
SCHEMBL9447365 0.86 HTT (0.42) POLBHTTALDH1A1MAPTCYP3A4
SCHEMBL11035064 0.84 KIF11 (0.47) POLBHTTALDH1A1MAPTCYP3A4
SCHEMBL2891481 0.82 POLB (0.67) POLBHTTALDH1A1TP53CYP3A4
SCHEMBL9683683 0.82 POLB (0.61) POLBHTTALDH1A1MAPTTP53
SCHEMBL11049728 0.81 NR3C2 (0.44) POLBHTTALDH1A1MAPTCYP3A4
SCHEMBL9684130 0.79 POLB (0.50) POLBHTTALDH1A1MAPTNOS3
SCHEMBL13497781 0.78 HTT (0.45) POLBHTTALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5608013-A Polyimides and thermosetting resin compositions containing the same HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-03-04 US disclosed
EP-0456515-A1 Polyimides and thermosetting resin compositions containing the same Hitachi Chemical Co., Ltd. (JP) 1991-11-13 EP disclosed