SCHEMBL11664401

SCHEMBL11664401

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TTR P02766 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ PRSS1 P07477 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ HSPB1 P04792 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL11662403 0.90 TTR (0.44) RAB9AMEN1KMT2AKDM4EMAPT
SCHEMBL11666061 0.89 RAB9A (0.42) RAB9AMEN1KMT2AKDM4EMAPT
SCHEMBL11664073 0.88 MEN1 (0.42) RAB9AMEN1KMT2AKDM4EMAPT
SCHEMBL11662441 0.88 RAB9A (0.44) RAB9AMEN1KMT2AKDM4EMAPT
SCHEMBL11665909 0.86 MEN1 (0.40) RAB9AMEN1KMT2AKDM4EMAPT
SCHEMBL11664232 0.86 RAB9A (0.50) RAB9AMEN1KMT2AKDM4EMAPT
SCHEMBL11664178 0.82 MAPT (0.52) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL11666196 0.80 TTR (0.46) RAB9AMEN1KMT2AKDM4EMAPT
SCHEMBL11665919 0.79 MEN1 (0.42) RAB9AMEN1KMT2AKDM4EMAPT
SCHEMBL11665113 0.79 SMN1; SMN2 (0.44) RAB9AMEN1KMT2AKDM4EMAPT

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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