SCHEMBL28292679

SCHEMBL28292679

CCCCc1cc(-c2ccncc2)ccn1.F[B-](F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 2/20 0.46
SREBF2 Q12772 9/20 0.41
GSK3B P49841 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 1/20 0.37
S1PR1 P21453 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28078531 0.87 CYP2D6 (0.49) CYP2D6CYP3A4SREBF2GSK3BPSEN1
SCHEMBL27913958 0.87 CYP2D6 (0.49) CYP2D6CYP3A4SREBF2GSK3BPSEN1
SCHEMBL28011986 0.87 CYP2D6 (0.49) CYP2D6CYP3A4SREBF2GSK3BPSEN1
SCHEMBL28012363 0.87 CYP2D6 (0.49) CYP2D6CYP3A4SREBF2GSK3BPSEN1
SCHEMBL28011947 0.87 CYP2D6 (0.49) CYP2D6CYP3A4SREBF2GSK3BPSEN1
SCHEMBL28684192 0.83 SREBF2 (0.50) CYP2D6CYP3A4SREBF2PSEN1PSEN2
Bromide SCHEMBL28704512 0.82 MAPT (0.50) CYP2D6CYP3A4SREBF2PSEN1PSEN2
SCHEMBL25500863 0.81 SREBF2 (0.52) SREBF2
SCHEMBL31345539 0.79 SREBF2 (0.51) SREBF2
SCHEMBL27692764 0.79 SREBF2 (0.51) SREBF2

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
CN-109690395-A Color offset in electrochromic device is alleviated 金泰克斯公司 2019-04-26 CN claimed