SCHEMBL28962447

SCHEMBL28962447

CC(=O)Nc1nc2c(ccc3ccccc32)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.71
▸ KMT2A Q03164 5/20 0.71
▸ POLB P06746 1/20 0.71
▸ XIAP P98170 1/20 0.70
▸ MAPT P10636 4/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ HTT P42858 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ DYRK1A Q13627 7/20 0.61
▸ ALDH1A1 P00352 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ADORA1 P30542 1/20 0.57
▸ LMNA P02545 2/20 0.57
▸ PIK3CG P48736 1/20 0.49
▸ CLK1 P49759 1/20 0.49

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
SCHEMBL28962431 0.83 MEN1 (0.76) MEN1KMT2APOLBXIAPMAPT
SCHEMBL4961093 0.83 KMT2A (0.67) MEN1KMT2APOLBXIAPMAPT
SCHEMBL28931485 0.80 MEN1 (0.71) MEN1KMT2APOLBXIAPMAPT
SCHEMBL4959942 0.80 KMT2A (0.63) MEN1KMT2APOLBXIAPMAPT
SCHEMBL28962671 0.80 XIAP (0.59) MEN1KMT2APOLBXIAPMAPT
SCHEMBL17933317 0.80 XIAP (0.58) MEN1KMT2APOLBXIAPMAPT
SCHEMBL28931501 0.79 XIAP (0.58) MEN1KMT2APOLBXIAPMAPT
SCHEMBL28931495 0.79 MEN1 (0.69) MEN1KMT2APOLBXIAPMAPT
SCHEMBL14020311 0.78 KMT2A (0.50) MEN1KMT2APOLBXIAPMAPT
SCHEMBL16705684 0.76 XIAP (0.58) MEN1KMT2APOLBXIAPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417833-B Synthesis method of 2-amido naphtho [1,2-d ] thiazole 池州学院 2024-05-28 — — CN disclosed
CN-115417833-A Synthesis method of 2-acylamino naphtho [1,2-d ] thiazole 池州学院 2022-12-02 — — CN disclosed
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