SCHEMBL26060367

SCHEMBL26060367

CC1(C)c2ccccc2-c2c(N(c3ccc4c(ccc5c6ccccc6ccc45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 3/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ HIF1A Q16665 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ CYP1B1 Q16678 2/20 0.33
▸ SOS1 Q07889 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ CYP1A1 P04798 1/20 0.31

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
SCHEMBL20466437 0.97 ALDH1A1 (0.36) HPRT1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL26060552 0.95 HPRT1 (0.31) HPRT1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL26060540 0.95 SOS1 (0.33) HPRT1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL26059816 0.95 HPRT1 (0.34) HPRT1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL26060594 0.94 ALDH1A1 (0.32) HPRT1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL26060592 0.94 CYP1A2 (0.32) HPRT1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL24655266 0.94 MAPK1 (0.33) ALDH1A1CYP1A2HPGDHSD17B10HIF1A
SCHEMBL26060530 0.93 SOS1 (0.31) HPRT1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL20434359 0.93 CYP1A2 (0.31) ALDH1A1CYP1A2HPGDHSD17B10HIF1A
SCHEMBL26060547 0.92 MCL1 (0.32) HPRT1ALDH1A1CYP1A2HPGDHSD17B10

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-4235829-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 — — EP disclosed
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