SCHEMBL20041713

SCHEMBL20041713

Cc1cccc(-n2c(C)nc3ccccc32)c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
KMT2A Q03164 1/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TUBB4A P04350 1/20 0.40

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
SCHEMBL15605424 0.85 TSHR (1.00) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL19486460 0.83 TSHR (0.82) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL20041464 0.82 TSHR (0.70) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL21128383 0.79 TSHR (0.69) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL13052935 0.78 TSHR (0.74) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL13080878 0.78 TSHR (0.73) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL22219415 0.78 TSHR (0.68) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL31259052 0.78 TSHR (0.68) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL19486091 0.77 TSHR (0.67) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL22507414 0.77 TSHR (0.72) TSHRMAPK1HTTALDH1A1LMNA

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