SCHEMBL29177700

SCHEMBL29177700

c1cc(-c2ccccc2-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2[nH]c2ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.45
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ GABRE P78334 1/20 0.44
▸ GABRA6 Q16445 1/20 0.44
▸ GABRG1 Q8N1C3 1/20 0.44
▸ GABRG3 Q99928 1/20 0.44
▸ GABRQ Q9UN88 1/20 0.44
▸ CDK4 P11802 4/20 0.43
▸ CCND1 P24385 4/20 0.43
▸ PARP14 Q460N5 6/20 0.43

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
SCHEMBL18931238 0.97 KIF11 (0.45) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL18931288 0.97 KIF11 (0.45) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29177930 0.95 KIF11 (0.46) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29177932 0.91 CDK4 (0.46) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL17231620 0.91 KIF11 (0.45) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL944436 0.90 KIF11 (0.47) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29470863 0.90 KIF11 (0.50) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL187300 0.90 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29394785 0.90 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL867558 0.89 KIF11 (0.52) KIF11GABRPGABRDGABRA1GABRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 — — CN disclosed
CN-117616909-A Mixed powder for organic electroluminescent element and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum evaporation 出光兴产株式会社 2024-02-27 — — CN disclosed
CN-117581654-A Mixed powder, mixed body, and method for manufacturing organic electroluminescent element 出光兴产株式会社 2024-02-20 — — CN disclosed
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