SCHEMBL26266691

SCHEMBL26266691

Clc1nc(-c2ccc(-c3ccccc3)cc2)nc2c1sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ TNKS O95271 3/20 0.41
▸ TNKS2 Q9H2K2 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ LIMK1 P53667 3/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ PIM1 P11309 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ATM Q13315 1/20 0.34

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
SCHEMBL17022477 0.97 MEN1 (0.46) MEN1KMT2AHTTTNKSTNKS2
SCHEMBL29888780 0.97 MEN1 (0.46) MEN1KMT2AHTTTNKSTNKS2
SCHEMBL18553250 0.91 LIMK1 (0.40) MEN1KMT2AHTTTNKSTNKS2
SCHEMBL18666124 0.90 LIMK1 (0.39) MEN1KMT2AHTTTNKSTNKS2
SCHEMBL20659731 0.90 PRKCI (0.42) MEN1KMT2ATNKSTNKS2LIMK1
SCHEMBL20669909 0.85 KDM4E (0.39) MEN1KMT2AHTTTNKSTNKS2
SCHEMBL18017773 0.84 MEN1 (0.44) MEN1KMT2ATNKSTNKS2LIMK1
SCHEMBL18017815 0.84 MEN1 (0.44) MEN1KMT2ATNKSTNKS2LIMK1
SCHEMBL16902239 0.84 MEN1 (0.44) MEN1KMT2ATNKSTNKS2LIMK1
SCHEMBL18017762 0.84 MEN1 (0.44) MEN1KMT2ATNKSTNKS2LIMK1

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-2023153844-A1 HETEROCYCLIC COMPOUND, AND COMPOSITION FOR FORMING ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC MATERIAL LAYER COMPRISING SAME 엘티소재주식회사 2023-08-17 — — WO disclosed
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