SCHEMBL11664232

SCHEMBL11664232

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.50
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TTR P02766 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL11660731 0.89 RAB9A (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL11662403 0.87 TTR (0.44) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11664401 0.86 RAB9A (0.42) RAB9AALDH1A1MEN1KMT2ACYP2D6
SCHEMBL11663778 0.86 RAB9A (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL11666061 0.86 RAB9A (0.42) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11662441 0.85 RAB9A (0.44) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL11665909 0.83 MEN1 (0.40) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11665104 0.79 NPC1 (0.51) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL11666196 0.78 TTR (0.46) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11665919 0.77 MEN1 (0.42) RAB9AALDH1A1MEN1KMT2AKDM4E

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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