SCHEMBL20040409

SCHEMBL20040409

Cc1nc2ccccc2n1-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ AGER Q15109 1/20 0.39
▸ PTAFR P25105 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
SCHEMBL17716128 0.93 MAPK1 (0.55) MAPK1HTTTSHRPOLBNR1H2
SCHEMBL17993378 0.90 MAPK1 (0.54) MAPK1HTTTSHRPOLBNR1H2
SCHEMBL22592972 0.85 MAPK1 (0.55) MAPK1HTTTSHRPOLBNR1H2
SCHEMBL17993421 0.85 KDM4E (0.41) MAPK1HTTALDH1A1KDM4EMAPT
SCHEMBL822745 0.85 ESR1 (0.54) MAPK1HTTPOLBALDH1A1KDM4E
SCHEMBL20040426 0.84 MAPK1 (0.74) MAPK1HTTTSHRPOLBNR1H2
SCHEMBL17993396 0.84 KDM4E (0.37) MAPK1HTTPOLBALDH1A1KDM4E
SCHEMBL17723973 0.84 MAPK1 (0.69) MAPK1HTTTSHRPOLBNR1H2
SCHEMBL280035 0.84 ESR1 (0.47) ALDH1A1KDM4ETP53
SCHEMBL20040464 0.83 MAPK1 (0.68) MAPK1HTTTSHRPOLBNR1H2

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-3053918-B1 2-carbazole substituted benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 — — EP disclosed
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