SCHEMBL22989048

SCHEMBL22989048

Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c3sc4ccccc4c3n2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.36
▸ TNKS2 Q9H2K2 2/20 0.36
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ LIMK1 P53667 3/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ PIM1 P11309 2/20 0.32
▸ PIM2 Q9P1W9 2/20 0.32
▸ PIM3 Q86V86 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
SCHEMBL22989232 0.97 TNKS (0.35) TNKSTNKS2MEN1KMT2AALDH1A1
SCHEMBL22988990 0.91 RXFP1 (0.38) TNKSTNKS2MEN1KMT2AALDH1A1
SCHEMBL18018080 0.87 TNKS (0.40) TNKSTNKS2MEN1KMT2AALDH1A1
SCHEMBL18018082 0.86 TNKS (0.40) TNKSTNKS2MEN1KMT2AALDH1A1
SCHEMBL18018081 0.86 TNKS (0.40) TNKSTNKS2MEN1KMT2AALDH1A1
SCHEMBL16902352 0.85 TNKS (0.39) TNKSTNKS2MEN1KMT2AALDH1A1
SCHEMBL18017815 0.84 MEN1 (0.44) TNKSTNKS2MEN1KMT2AALDH1A1
SCHEMBL18017908 0.84 MEN1 (0.44) TNKSTNKS2MEN1KMT2AALDH1A1
SCHEMBL18017898 0.84 MEN1 (0.44) TNKSTNKS2MEN1KMT2AALDH1A1
SCHEMBL18017762 0.84 MEN1 (0.44) TNKSTNKS2MEN1KMT2AALDH1A1

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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