SCHEMBL29311808

SCHEMBL29311808

Cn1cc(CC(N)C(=O)O)c2c(N=O)cc(-c3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 4/20 0.43
▸ NOS1 P29475 4/20 0.43
▸ NOS2 P35228 4/20 0.43
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ PKM P14618 2/20 0.37
▸ ALPI P09923 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ PMP22 Q01453 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ MPO P05164 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
SCHEMBL26329592 0.84 NOS3 (0.40) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL26329688 0.83 NOS3 (0.37) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL29311726 0.81 NOS3 (0.36) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL18029141 0.81 CRHBP (0.41) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL18000273 0.81 CRHBP (0.41) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL19871246 0.78 MAPT (0.55) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL18029052 0.76 MAPT (0.50) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL20120110 0.76 AURKA (0.42) MAPTALDH1A1RECQLPKMKDM4E
SCHEMBL18029037 0.75 NR4A2 (0.52) MAPTALDH1A1RECQL
SCHEMBL26328727 0.75 KMT2A (0.53) NOS3NOS1NOS2MAPTALDH1A1

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-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 — — US disclosed
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