SCHEMBL29096059

SCHEMBL29096059

Cc1ccc(S(=O)(=O)O)c(-c2ccccc2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ MAPT P10636 2/20 0.43
▸ TDP2 O95551 1/20 0.42
▸ BRD9 Q9H8M2 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ METAP1 P53582 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL17629290 0.83 HPGD (0.46) HSP90AA1HSP90AB1MAPTBRD9RXFP1
SCHEMBL30047812 0.83 HPGD (0.46) HSP90AA1HSP90AB1MAPTBRD9RXFP1
SCHEMBL26606066 0.81 CA12 (0.50) MAPTALDH1A1HPGDHSD17B10POLB
SCHEMBL26606017 0.80 CXCR2 (0.51) MAPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL26606067 0.80 CXCR2 (0.58) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL29030128 0.80 KMT2A (0.42) HSP90AA1HSP90AB1MAPTBRD9RXFP1
SCHEMBL4414634 0.78 LMNA (0.48) HSP90AA1HSP90AB1MAPTBRD9RXFP1
SCHEMBL26606012 0.78 SMN1; SMN2 (0.53) MAPTTRPV1ALDH1A1HSD17B10POLB
SCHEMBL7857421 0.75 ELANE (0.46) MAPTRXFP1ALDH1A1LMNAHPGD
SCHEMBL3783723 0.74 BRD9 (0.47) HSP90AA1HSP90AB1BRD9RXFP1TRPV1

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
CN-116969849-A Preparation method of deuterated o-aminophenol and intermediate thereof 上海药坦药物研究开发有限公司 2023-10-31 — — CN disclosed
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