SCHEMBL25903330

SCHEMBL25903330

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ WEE1 P30291 1/20 0.37
▸ F9 P00740 1/20 0.35
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ HPGD P15428 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ PTPN1 P18031 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ ATM Q13315 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
SCHEMBL25880363 0.99 CHEK1 (0.36) GPR3CHEK1WEE1F9MAOA
SCHEMBL25881154 0.99 CHEK1 (0.36) GPR3CHEK1WEE1F9MAOA
SCHEMBL25884380 0.93 ALDH1A1 (0.38) GPR3CHEK1WEE1F9MAOA
SCHEMBL25880587 0.91 S1PR5 (0.33) GPR3CHEK1WEE1F9ALDH1A1
SCHEMBL25880850 0.91 F9 (0.40) CHEK1WEE1F9ALDH1A1MAPT
SCHEMBL25881001 0.91 S1PR5 (0.35) CHEK1WEE1ALDH1A1MAPTHPGD
SCHEMBL25880729 0.91 F9 (0.34) GPR3CHEK1WEE1F9MAOA
SCHEMBL25881005 0.91 F9 (0.34) GPR3CHEK1WEE1F9MAOA
SCHEMBL25884450 0.90 CHEK1 (0.33) GPR3CHEK1WEE1F9ALOX5
SCHEMBL25884731 0.89 ALDH1A1 (0.35) GPR3CHEK1WEE1F9ALDH1A1

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-2023140529-A1 ORGANIC ELECTRIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-07-27 — — WO disclosed
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