SCHEMBL20041464

SCHEMBL20041464

Cc1nc2ccccc2n1-c1ccccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
KCNMA1 Q12791 1/20 0.51
GAA P10253 1/20 0.49
POLB P06746 2/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TNF P01375 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL19486460 0.87 TSHR (0.82) TSHRMAPK1HTTPOLBPIK3CD
SCHEMBL20041714 0.84 TSHR (0.58) TSHRMAPK1HTTGAAPOLB
SCHEMBL20041515 0.84 TSHR (0.50) TSHRMAPK1HTTKCNMA1GAA
SCHEMBL15605424 0.82 TSHR (1.00) TSHRMAPK1HTTPOLBPIK3CD
SCHEMBL13052935 0.82 TSHR (0.74) TSHRMAPK1HTTPOLBPIK3CD
SCHEMBL20041713 0.82 TSHR (0.73) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL13080878 0.82 TSHR (0.73) TSHRMAPK1HTTPOLBPIK3CD
SCHEMBL22507414 0.81 TSHR (0.72) TSHRMAPK1HTTPOLBPIK3CD
SCHEMBL8900526 0.80 TSHR (0.55) TSHRMAPK1HTTKCNMA1POLB
SCHEMBL25277518 0.79 TSHR (0.70) TSHRMAPK1HTTPOLBPIK3CD

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed