SCHEMBL16512864

SCHEMBL16512864

[O-][n+]1cccc2c(Cl)n(-c3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MPO P05164 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ SRC P12931 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL28792817 0.71 ESR2 (0.74) ESR2NPSR1GAASMN1; SMN2NPC1
SCHEMBL16512869 0.67 ESR2 (0.46) ESR2NPSR1GAASMN1; SMN2NPC1
SCHEMBL1407223 0.61 NR1H2 (0.49) ESR2NPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1094058 0.61 ESR2 (0.75) ESR2NPSR1GAASMN1; SMN2NPC1
SCHEMBL31670573 0.60 ESR2 (0.67) ESR2GAASMN1; SMN2ALDH1A1LMNA
SCHEMBL31691548 0.60 ESR2 (0.46) ESR2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9910895 0.60 ESR2 (0.50) ESR2GAASMN1; SMN2NPC1RAB9A
SCHEMBL11730545 0.60 RAB9A (0.42) ESR2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13602488 0.60 SMN1; SMN2 (0.57) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4876232 0.60 RORC (0.46) NPSR1GAAALDH1A1LMNAMAPK1

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-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
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