SCHEMBL30107598

SCHEMBL30107598

NC(Cc1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ GAA P10253 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ SLC7A5 Q01650 4/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ ALPI P09923 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ XIAP P98170 1/20 0.50
▸ P2RY12 Q9H244 2/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MPO P05164 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49

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
SCHEMBL21690442 1.00 MEN1 (0.51) MEN1KMT2AGAAPOLBTDP1
SCHEMBL26793178 1.00 MEN1 (0.51) MEN1KMT2AGAAPOLBTDP1
SCHEMBL12154974 0.91 SLC7A5 (0.54) MEN1KMT2ATDP1SLC7A5PTGS1
SCHEMBL1733848 0.91 SLC7A5 (0.54) MEN1KMT2ATDP1SLC7A5PTGS1
SCHEMBL31370415 0.91 SLC7A5 (0.54) MEN1KMT2ATDP1SLC7A5PTGS1
SCHEMBL17189671 0.90 KMT2A (0.51) MEN1KMT2AGAAPOLBTDP1
SCHEMBL6714833 0.77 LMNA (0.56) GAAPOLBTDP1SLC7A5PTGS1
Tyrosine SCHEMBL28042203 0.77 SLC7A5 (0.60) MEN1KMT2AGAAPOLBTDP1
Water SCHEMBL11335239 0.76 LMNA (0.55) GAAPOLBTDP1SLC7A5PTGS1
SCHEMBL11603982 0.75 GRIA2 (0.61) GAATDP1SLC7A5PTGS1ALPI

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
EP-4373983-A2 A PROTEIN-BASED SENSOR FOR METALS IN ENVIRONMENTAL SAMPLES AND USES THEREOF The Penn State Research Foundation (US) 2024-05-29 — — EP disclosed
WO-2023004333-A2 A PROTEIN-BASED SENSOR FOR METALS IN ENVIRONMENTAL SAMPLES AND USES THEREOF THE PENN STATE RESEARCH FOUNDATION (US) 2023-01-26 — — WO disclosed
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