SCHEMBL21715779

SCHEMBL21715779

Nc1ccc(-c2ccc3c(-c4ccc(N)cc4C(F)(F)F)cccc3c2)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B1 P14061 3/20 0.56
HSD17B2 P37059 3/20 0.56
BACE1 P56817 1/20 0.44
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PLAU P00749 1/20 0.38
TRPA1 O75762 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL21715759 0.89 TSHR (0.57) GLAPOLBGAATSHRHSD17B1
SCHEMBL30894995 0.83 TSHR (0.77) GLAPOLBGAATSHRHSD17B1
SCHEMBL21683303 0.83 TSHR (0.77) GLAPOLBGAATSHRHSD17B1
SCHEMBL28551745 0.82 TSHR (0.61) GLAPOLBGAATSHRHSD17B1
SCHEMBL21715805 0.81 GLA (0.68) GLAPOLBGAATSHRHSD17B1
SCHEMBL24297566 0.81 GAA (0.80) GLAPOLBGAATSHRHSD17B1
SCHEMBL21715782 0.80 GLA (0.66) GLAPOLBGAATSHRHSD17B1
SCHEMBL31024149 0.79 GLA (0.63) GLAPOLBGAATSHRHSD17B1
SCHEMBL23429820 0.79 TSHR (0.69) GLAPOLBGAATSHRHSD17B1
SCHEMBL21683068 0.79 GLA (0.63) GLAPOLBGAATSHRHSD17B1

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-20210163683-A1 POLYMERS FOR USE IN ELECTRONIC DEVICES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2021-06-03 US disclosed
WO-2020033471-A1 POLYMERS FOR USE IN ELECTRONIC DEVICES DUPONT ELECTRONICS, INC. (US) 2020-02-13 WO disclosed