SCHEMBL11659747

SCHEMBL11659747

CC(=O)SCC(O)CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TTR P02766 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALPG P10696 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL11662417 0.88 KMT2A (0.42) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL11665909 0.86 MEN1 (0.40) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL11665150 0.83 MEN1 (0.45) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL11663355 0.82 MAPT (0.52) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL11663778 0.82 RAB9A (0.53) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL11665294 0.82 MEN1 (0.46) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL11662243 0.81 PRSS1 (0.47) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL14515261 0.79 ALDH1A1 (0.44) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL11664312 0.79 MAPT (0.40) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL15087419 0.78 KMT2A (0.43) RAB9AMEN1KMT2AMAPTKDM4E

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-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US disclosed
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