SCHEMBL28931500

SCHEMBL28931500

CCCC(=O)Nc1nc2c(cc(Br)c3ccccc32)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.54
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ SMN1; SMN2 Q16637 8/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ TSHR P16473 1/20 0.50
▸ LMNA P02545 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL28931499 0.92 BCHE (0.50) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL28962431 0.81 MEN1 (0.76) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL28931485 0.76 MEN1 (0.71) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL19771114 0.75 POLB (0.74) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL28931495 0.74 MEN1 (0.69) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL12854481 0.70 RAB9A (0.45) NPC1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL31717641 0.68 DYRK1A (0.69) NPC1KMT2AMEN1POLBALDH1A1
SCHEMBL6227275 0.68 MAPT (0.73) NPC1POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL10695859 0.67 MAPT (0.75) NPC1POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL2752606 0.67 ALDH1A1 (0.74) NPC1KMT2AMEN1ALDH1A1HSD17B10

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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