SCHEMBL28367626

SCHEMBL28367626

O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21.[NaH].[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ PARG Q86W56 5/20 0.53
▸ PKLR P30613 3/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ BCL2 P10415 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ POLB P06746 2/20 0.49
▸ TTR P02766 1/20 0.48
▸ TSHR P16473 2/20 0.48
▸ ELANE P08246 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL305526 1.00 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
Water SCHEMBL1976333 0.98 KMT2A (0.53) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL29536345 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL29518398 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL426122 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL28718485 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL11327335 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL7758423 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL21840825 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL2784888 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1

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-108439285-B Carbon tetrachloride reation kettle linkage platform 徐州工程学院 2020-03-27 — — CN disclosed
Send feedback