SCHEMBL11663778

SCHEMBL11663778

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.53
▸ NPC1 O15118 1/20 0.49
▸ CYP2D6 P10635 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 4/20 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
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11665104 0.88 NPC1 (0.51) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL11664232 0.86 RAB9A (0.50) RAB9ANPC1CYP2D6MAPK1MEN1
SCHEMBL11665150 0.85 MEN1 (0.45) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL14515285 0.82 MAPT (0.59) NPC1MAPK1MEN1KMT2AALDH1A1
SCHEMBL11659747 0.82 RAB9A (0.42) RAB9AMAPK1MEN1KMT2AKDM4E
SCHEMBL11665294 0.82 MEN1 (0.46) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL11662243 0.81 PRSS1 (0.47) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL11662181 0.80 MAPT (0.39) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL11664075 0.80 MEN1 (0.39) RAB9AMAPK1MEN1KMT2AKDM4E
SCHEMBL14515261 0.79 ALDH1A1 (0.44) RAB9ANPC1MAPK1MEN1KMT2A

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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