SCHEMBL11662417

SCHEMBL11662417

CC(=O)SCC(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TTR P02766 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSPB1 P04792 3/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL11659747 0.88 RAB9A (0.42) KMT2AMAPTMEN1ALDH1A1TTR
SCHEMBL11664312 0.85 MAPT (0.40) KMT2AMAPTMEN1ALDH1A1TTR
SCHEMBL11149431 0.85 KMT2A (0.51) KMT2AMAPTMEN1ALDH1A1TTR
SCHEMBL11665833 0.83 KMT2A (0.46) KMT2AMAPTMEN1ALDH1A1TTR
SCHEMBL11664894 0.81 ALDH1A1 (0.57) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL11665104 0.81 NPC1 (0.51) KMT2AMAPTMEN1ALDH1A1TTR
SCHEMBL11665258 0.81 KMT2A (0.48) KMT2AMAPTMEN1ALDH1A1TTR
SCHEMBL11665102 0.80 L3MBTL1 (0.49) KMT2AMAPTMEN1ALDH1A1TTR
SCHEMBL11664059 0.79 MAPT (0.49) KMT2AMAPTMEN1ALDH1A1TTR
SCHEMBL11154930 0.79 ALDH1A1 (0.52) KMT2AMAPTMEN1ALDH1A1TTR

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
Send feedback