SCHEMBL20107471

SCHEMBL20107471

C#CCOC(=O)c1cc(N)cc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
NPC1 O15118 2/20 0.50
CYP1A2 P05177 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
NFKB1 P19838 1/20 0.42
CHRM3 P20309 1/20 0.42
THPO P40225 1/20 0.42
LMNA P02545 2/20 0.41
PMP22 Q01453 1/20 0.41
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 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
SCHEMBL13023144 0.96 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL3022955 0.86 NPC1 (0.59) CA12CA1CA2CA9CA14
SCHEMBL8359572 0.83 NPC1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL11410746 0.81 CA12 (0.66) CA12CA1CA2CA9CA14
SCHEMBL27828662 0.81 NPC1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL20107468 0.80 NPC1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL13314438 0.79 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL176369 0.78 CA12 (0.71) CA12CA1CA2CA9CA14
SCHEMBL20572690 0.78 SERPINE1 (0.63) CA12CA1CA2CA9CA14
SCHEMBL2289482 0.78 NPC1 (0.50) CA12CA1CA2CA9CA14

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-20200262978-A1 Polyimides FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2020-08-20 US disclosed
WO-2018080870-A1 POLYIMIDES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2018-05-03 WO disclosed