SCHEMBL3718562

SCHEMBL3718562

CC(C)Oc1ccc(Oc2cnc3cc([N+](=O)[O-])ccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 11/20 0.62
▸ LMNA P02545 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ HSPB1 P04792 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MEN1 O00255 3/20 0.42

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
SCHEMBL10973419 0.84 LMNA (0.52) HTTLMNARAB9AMAPTALDH1A1
SCHEMBL3722747 0.79 HTT (0.47) HTTLMNARAB9AMAPTALDH1A1
SCHEMBL3720887 0.79 HTT (0.47) HTTLMNARAB9AMAPTALDH1A1
SCHEMBL3563953 0.78 RAB9A (0.52) HTTLMNARAB9AMAPTALDH1A1
SCHEMBL30891215 0.78 RAB9A (0.52) HTTLMNARAB9AMAPTALDH1A1
SCHEMBL3719822 0.77 ALDH1A1 (0.51) HTTLMNARAB9AMAPTALDH1A1
SCHEMBL3724731 0.77 ALDH1A1 (0.47) HTTLMNARAB9AMAPTALDH1A1
SCHEMBL3719825 0.76 ALDH1A1 (0.45) HTTLMNARAB9AMAPTALDH1A1
SCHEMBL4778707 0.72 KMT2A (0.67) HTTLMNARAB9AMAPTALDH1A1
SCHEMBL22926878 0.71 TTR (0.47) HTTLMNAMAPTALDH1A1SMN1; SMN2

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 — — WO disclosed
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