SCHEMBL11725307

SCHEMBL11725307

CN(C)CCn1c(-c2ncc([N+](=O)[O-])n2C)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HDAC3 O15379 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
Hydrochloric Acid SCHEMBL11724250 0.99 POLB (0.45) POLBRXFP1MAPTHTTALDH1A1
Hydrochloric Acid SCHEMBL11723570 0.93 ALDH1A1 (0.48) POLBRXFP1MAPTHTTALDH1A1
SCHEMBL11721710 0.89 POLB (0.44) POLBRXFP1MAPTHTTALDH1A1
Hydrochloric Acid SCHEMBL11723382 0.88 POLB (0.43) POLBRXFP1MAPTHTTALDH1A1
SCHEMBL11724024 0.86 TLR8 (0.46) POLBRXFP1MAPTHTTALDH1A1
SCHEMBL11725390 0.86 ALDH1A1 (0.52) POLBRXFP1MAPTALDH1A1PKM
SCHEMBL11727356 0.86 ALDH1A1 (0.45) RXFP1MAPTHTTALDH1A1PKM
Hydrochloric Acid SCHEMBL11719065 0.86 CNR2 (0.41) RXFP1MAPTHTTALDH1A1KDM4E
SCHEMBL11724573 0.84 DRD2 (0.45) RXFP1HTTALDH1A1PKMRAB9A
SCHEMBL11724229 0.83 ALDH1A1 (0.49) RXFP1ALDH1A1PKMRAB9AHDAC1

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-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US disclosed
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