SCHEMBL14292071

SCHEMBL14292071

O=C1CCCCC1[C@@H](C[N+](=O)[O-])c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CA1 P00915 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ MBTD1 Q05BQ5 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35

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
SCHEMBL27165131 0.87 CA1 (0.41) MAPTLMNANPSR1CA1ALDH1A1
SCHEMBL27204599 0.87 MAPT (0.46) MAPTLMNANPSR1CA1ALDH1A1
SCHEMBL27165019 0.87 CA1 (0.41) MAPTLMNANPSR1CA1ALDH1A1
SCHEMBL27204598 0.87 MAPT (0.46) MAPTLMNANPSR1CA1ALDH1A1
SCHEMBL27165132 0.87 CA1 (0.41) MAPTLMNANPSR1CA1ALDH1A1
SCHEMBL27165037 0.87 MAPT (0.46) MAPTLMNANPSR1CA1ALDH1A1
SCHEMBL27204578 0.86 MAPT (0.49) MAPTLMNANPSR1CA1ALDH1A1
SCHEMBL27204579 0.86 MAPT (0.49) MAPTLMNANPSR1CA1ALDH1A1
SCHEMBL14292597 0.86 MAPT (0.49) MAPTLMNANPSR1CA1ALDH1A1
SCHEMBL27165036 0.86 MAPT (0.49) MAPTLMNANPSR1CA1ALDH1A1

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
WO-2008022961-A1 N-HETEROCYCLES SUPPORTED ON POLYMERS THROUGH TRIAZOLE OR TETRAZOLE LINKERS FOR ORGANOCATALYTIC APPLICATIONS INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2008-02-28 — — WO disclosed
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