SCHEMBL29518023

SCHEMBL29518023

[2H]C(=Cc1cccs1)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ RAB9A P51151 9/20 0.51
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ MAPT P10636 7/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ NPC1 O15118 6/20 0.48
▸ CASP3 P42574 2/20 0.47
▸ SENP8 Q96LD8 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP6 Q9GZR1 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL27752058 0.86 RAB9A (0.67) HTTLMNARAB9AMEN1KMT2A
SCHEMBL12204615 0.78 MEN1 (0.62) HTTLMNARAB9AMEN1KMT2A
SCHEMBL1224685 0.75 LMNA (0.45) HTTLMNARAB9AMEN1KMT2A
SCHEMBL1224684 0.75 LMNA (0.45) HTTLMNARAB9AMEN1KMT2A
SCHEMBL27752021 0.74 RAB9A (0.67) HTTLMNARAB9AMEN1KMT2A
SCHEMBL1225513 0.72 SMN1; SMN2 (0.45) HTTLMNARAB9AMEN1KMT2A
SCHEMBL1225516 0.72 SMN1; SMN2 (0.45) HTTLMNARAB9AMEN1KMT2A
SCHEMBL18985299 0.72 RAB9A (0.74) HTTLMNARAB9AMEN1KMT2A
SCHEMBL18985301 0.72 RAB9A (0.74) HTTLMNARAB9AMEN1KMT2A
SCHEMBL3040771 0.71 RAB9A (0.69) HTTLMNARAB9AMEN1KMT2A

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-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO disclosed
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