SCHEMBL11599734

SCHEMBL11599734

O=C(c1ccccc1)c1c(-c2ccccc2)c2cc(O)ccc2[s+]1[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
PTPN1 P18031 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL11599564 0.96 MEN1 (0.44) MEN1KMT2AGAAUSP2KEAP1
SCHEMBL11600615 0.90 MEN1 (0.41) MEN1KMT2AGAAUSP2KEAP1
SCHEMBL11599724 0.86 MAPT (0.45) MEN1KMT2AGAARAB9AMAPT
SCHEMBL11600447 0.85 CA12 (0.41) MEN1KMT2AGAARAB9AMAPT
SCHEMBL11598835 0.79 MAPK1 (0.48) RAB9AMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL11600056 0.79 LTA4H (0.56) MEN1KMT2AUSP2MAPTLMNA
SCHEMBL11599360 0.77 AKR1C3 (0.41) MEN1KMT2AGAAMAPTLMNA
SCHEMBL11600694 0.76 KAT6A (0.39) KMT2APOLB
SCHEMBL11600648 0.76 ALDH1A1 (0.45) MEN1KMT2AGAARAB9AMAPT
SCHEMBL11599650 0.74 ALDH1A1 (0.51) MEN1KMT2ARAB9AMAPTNPC1

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