SCHEMBL23786325

SCHEMBL23786325

CCN(CC)CCCNc1nc(NCCCN(CC)CC)nc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
TSHR P16473 3/20 0.43
BCL6 P41182 1/20 0.40
BCOR Q6W2J9 1/20 0.40
KCNH3 Q9ULD8 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
CASP1 P29466 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HBB P68871 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL23139618 0.93 CA1 (0.43) CA1CA2CA9TSHRBCL6
SCHEMBL21657759 0.91 CA1 (0.44) CA1CA2CA9TSHRBCL6
SCHEMBL23306812 0.89 CA1 (0.42) CA1CA2CA9TSHRBCL6
SCHEMBL23306813 0.86 CA1 (0.38) CA1CA2CA9TSHRBCL6
SCHEMBL21657761 0.86 CA1 (0.38) CA1CA2CA9TSHRBCL6
SCHEMBL21623602 0.82 CA1 (0.38) CA1CA2CA9ALDH1A1GAA
SCHEMBL15807054 0.82 CA1 (0.38) CA1CA2CA9ALDH1A1GAA
SCHEMBL18776979 0.82 CA1 (0.38) CA1CA2CA9ALDH1A1GAA
SCHEMBL12667015 0.80 CA1 (0.37) CA1CA2CA9ALDH1A1GAA
SCHEMBL12014060 0.80 CA1 (0.37) CA1CA2CA9ALDH1A1GAA

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-20210278761-A1 COLORING PHOTOSENSITIVE COMPOSITION, FILM, COLOR FILTER, SOLID-STATE IMAGING ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2021-09-09 US disclosed