SCHEMBL20460091

SCHEMBL20460091

Cc1ccc2c(c1)c1c(n2-c2ccccc2)C(C)CC=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HPGD P15428 4/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19570071 0.83 KDM4E (0.42) GAAGFERKDM4EL3MBTL1ATM
SCHEMBL21155888 0.83 KDM4E (0.42) GAAGFERKDM4EL3MBTL1ATM
SCHEMBL23341282 0.83 KMT2A (0.34) GAAGFERKDM4EL3MBTL1ATM
SCHEMBL20460059 0.81 DRD1 (0.33) GAAKDM4EL3MBTL1ATMHTT
SCHEMBL20709291 0.81 KDM4E (0.33) KDM4EL3MBTL1ATM
SCHEMBL20707565 0.79 KDM4E (0.40) KDM4EL3MBTL1ATM
SCHEMBL21539969 0.79 ALDH1A1 (0.36) KDM4EFGFR1L3MBTL1ALDH1A1NPC1
SCHEMBL21415970 0.78 GAA (0.33) GAAGFERKDM4EFGFR1L3MBTL1
SCHEMBL22415195 0.78 KDM4E (0.40) KDM4EL3MBTL1ATM
SCHEMBL25956652 0.78 KDM4E (0.40) KDM4EL3MBTL1ATM

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
EP-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 — — EP disclosed
EP-3357912-A1 SPIRO COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2018-08-08 — — EP disclosed
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