SCHEMBL22989232

SCHEMBL22989232

Clc1ccc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.35
▸ TNKS2 Q9H2K2 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ MAPT P10636 7/20 0.34
▸ MEN1 O00255 6/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ MMP14 P50281 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL22989048 0.97 TNKS (0.36) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL22988990 0.94 RXFP1 (0.38) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL18018060 0.86 TNKS (0.39) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL18018059 0.85 TNKS (0.39) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL18018062 0.85 TNKS (0.39) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL22989051 0.85 ALOX5 (0.38) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL24036897 0.85 CYP1A2 (0.37) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL16902210 0.84 ALDH1A1 (0.40) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL18018080 0.84 TNKS (0.40) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL16902374 0.84 TNKS (0.38) TNKSTNKS2HRH4LIMK1CDK5

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 — — WO disclosed
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