SCHEMBL25724576

SCHEMBL25724576

NCCOc1cc(C(N)=O)cc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 5/20 0.46
▸ PLAU P00749 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PRSS1 P07477 3/20 0.40
▸ PLA2G2A P14555 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ ST14 Q9Y5Y6 1/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP15 Q460N3 2/20 0.38
▸ PARP14 Q460N5 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PARP16 Q8N5Y8 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38
▸ PARP4 Q9UKK3 1/20 0.38
▸ ESR1 P03372 1/20 0.38

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
SCHEMBL4368371 0.96 PARP10 (0.46) PARP10PLAUTAAR1TSHRPRSS1
SCHEMBL5036891 0.86 PLA2G2A (0.46) PARP10TSHRPRSS1PLA2G2AF2
SCHEMBL19732841 0.82 PARP1 (0.59) PARP10TAAR1PRSS1F2PRSS2
SCHEMBL15977059 0.81 PLA2G2A (0.57) PARP10TSHRPLA2G2A
SCHEMBL6122034 0.80 PARP10 (0.70) PARP10TAAR1PRSS1AOC3PARP1
SCHEMBL2188463 0.80 PLA2G2A (0.61) PLAUTAAR1TSHRPLA2G2AALDH1A1
SCHEMBL20758466 0.79 MAPT (0.53) ALDH1A1
SCHEMBL6836738 0.78 PLA2G2A (0.54) PARP10TSHRPRSS1PLA2G2AF2
SCHEMBL14536663 0.78 L3MBTL1 (0.48) PLAUTAAR1PLA2G2AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL12502964 0.78 PARP10 (0.68) PARP10TAAR1PRSS1AOC3PARP1

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
EP-3498724-B1 NUCLEIC ACID COMPLEX KYOWA KIRIN CO LTD (JP) 2023-06-21 — — EP disclosed
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