SCHEMBL9330218

SCHEMBL9330218

Cc1ccc(Oc2cccc[n+]2C)[n+](C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.36
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ACHE P22303 2/20 0.31
TSHR P16473 1/20 0.31
HRH1 P35367 1/20 0.31
PDE4D Q08499 1/20 0.31
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9329839 0.84 HDAC8 (0.48) HDAC8MEN1PABPC1RAB9AKMT2A
Fluoride Ion SCHEMBL18740631 0.82 HDAC8 (0.46) HDAC8MEN1PABPC1RAB9AKMT2A
SCHEMBL9332458 0.76 HDAC8 (0.41) HDAC8SMN1; SMN2LMNAHTTACHE
SCHEMBL9330197 0.70 HDAC8 (0.36) HDAC8MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL13059606 0.69
Fluoride Ion SCHEMBL18740615 0.68 SLC22A2 (0.39) HDAC8MEN1PABPC1RAB9AKMT2A
Fluoride SCHEMBL18740618 0.68 SLC22A2 (0.39) HDAC8MEN1PABPC1RAB9AKMT2A
SCHEMBL25493466 0.68 KEAP1 (0.40) HDAC8MEN1PABPC1RAB9AKMT2A
Fluoride Ion SCHEMBL18740623 0.68 ACHE (0.41) HDAC8LMNAACHETSHR
Iodide SCHEMBL9132677 0.65 HDAC8 (0.39) HDAC8MEN1PABPC1RAB9AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440784-B1 PREPARATION OF DI-CATION ETHERS EASTMAN KODAK CO (US) 1994-04-13 EP disclosed
US-5110937-A PREPARATION OF DI-CATION ETHERS EASTMAN KODAK COMPANY (US) 1992-05-05 US disclosed