SCHEMBL11419779

SCHEMBL11419779

O=C(O)C(O)(c1ccccc1)c1ccc2oc([N+](=O)[O-])c(-c3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.44
▸ HNF4A P41235 3/20 0.36
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 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
SCHEMBL11419205 0.81 CYP2C9 (0.49) CYP2C9NPC1RAB9AL3MBTL1HTT
SCHEMBL11551302 0.78 TTR (0.49) NPC1RAB9APOLBMAPT
SCHEMBL11740749 0.77 RAB9A (0.50) HNF4ANPC1RAB9APOLBHTT
SCHEMBL11457247 0.77 MEN1 (0.50) NPC1RAB9AMITFPOLBMAPT
SCHEMBL11550544 0.76 ALDH1A1 (0.41) HNF4ANPC1RAB9AL3MBTL1POLB
SCHEMBL11455055 0.75 MMP12 (0.40) NPC1RAB9APOLBHTTMAPT
SCHEMBL11454416 0.75 SMN1; SMN2 (0.49) NPC1RAB9APOLBHTTMAPT
SCHEMBL11454015 0.75 TP53 (0.46) CYP2C9NPC1RAB9AL3MBTL1HTT
SCHEMBL11457288 0.75 NPC1 (0.45) HNF4ANPC1RAB9AHSP90AA1MAPT
SCHEMBL11543503 0.75 L3MBTL1 (0.51) HNF4ANPC1RAB9AL3MBTL1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4208335-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1980-06-17 — — US disclosed
US-4143154-A ANTI-MICROBIAL 2-NITRO-3-PHENYL BENZOFURANS SUBSTITUTED BY CARBOXY CONTAINING GROUP RIKER LABORATORIES, INC. (US) 1979-03-06 — — US disclosed
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