SCHEMBL22136361

SCHEMBL22136361

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ RIPK2 O43353 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ MAP3K8 P41279 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGIR P43119 1/20 0.30

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
SCHEMBL22136344 0.94 PTGIR (0.34) F9PDK2RIPK2EGFRKDR
SCHEMBL23372975 0.89 MAPT (0.34) F9PDK2MAP3K8ALDH1A1MAPT
SCHEMBL23372697 0.88 F9 (0.32) F9PDK2MAP3K8
SCHEMBL22136342 0.88 ALOX5 (0.43) F9PDK2MAP3K8
SCHEMBL15713467 0.86 PDK2 (0.39) PDK2EGFRMAPTRAB9ASMN1; SMN2
SCHEMBL29892218 0.86 PDK2 (0.39) PDK2EGFRMAPTRAB9ASMN1; SMN2
SCHEMBL24809299 0.85 PDK2 (0.37) F9PDK2RIPK2EGFRKDR
SCHEMBL17454691 0.85 PDK2 (0.41) PDK2MAP3K8MAPTRAB9ASMN1; SMN2
SCHEMBL23559143 0.84 MAPK14 (0.31) —
SCHEMBL14849903 0.83 PDK2 (0.39) PDK2ALDH1A1MAPTHPGDRAB9A

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
WO-2020130528-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-06-25 — — WO disclosed
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