SCHEMBL11600615

SCHEMBL11600615

O=C(c1ccccc1)c1c(-c2ccccc2)c2ccc(O)cc2[s+]1[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
PTPN1 P18031 1/20 0.39
ESR1 P03372 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11599734 0.90 MEN1 (0.42) MEN1KMT2AGAAUSP2KEAP1
SCHEMBL11599564 0.86 MEN1 (0.44) MEN1KMT2AGAAUSP2KEAP1
SCHEMBL11599724 0.85 MAPT (0.45) MEN1KMT2AGAARAB9AMAPT
SCHEMBL11600447 0.84 CA12 (0.41) MEN1KMT2AGAARAB9AMAPT
SCHEMBL11600648 0.82 ALDH1A1 (0.45) MEN1KMT2AGAARAB9AMAPT
SCHEMBL11602342 0.81 KAT6A (0.43) MEN1KMT2A
SCHEMBL11550462 0.80 MEN1 (0.42) MEN1KMT2AGAAUSP2KEAP1
SCHEMBL11600851 0.79 ALDH1A1 (0.46) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL11602273 0.76 PTPN11 (0.46) LMNAL3MBTL1CNR2
SCHEMBL11547568 0.76 MEN1 (0.47) MEN1KMT2AGAAUSP2KEAP1

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
US-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed