SCHEMBL22092555

SCHEMBL22092555

NC(=O)C1=CN(c2ccc(O)cc2)C=CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CA2 P00918 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MGLL Q99685 1/20 0.31
PEPD P12955 1/20 0.31

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
SCHEMBL21753518 0.86 MAPK1 (0.35) LDHAKMT2AMEN1MAPTKDM4E
SCHEMBL21753502 0.86 ALDH1A1 (0.35) LDHAMAPTGAAKDM4ELMNA
SCHEMBL21753524 0.85 ALDH1A1 (0.38) LDHAKMT2AMEN1MAPTGAA
SCHEMBL28854513 0.82 CA12 (0.38) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL21891257 0.82 ALDH1A1 (0.45) KMT2AMEN1MAPTGAAPARP10
SCHEMBL860052 0.75 PARP1 (0.44) LMNAPARP10ALDH1A1HSP90AA1MGLL
SCHEMBL21753516 0.72 TSHR (0.40) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL1274356 0.68 LDHA (0.36) LDHA
SCHEMBL20829870 0.65 LDHA (0.34) LDHA
SCHEMBL29217620 0.65 LDHA (0.34) LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245512-A1 METHODS TO SHIFT REDOX EQUILIBRIUM USING AN ORTHOGONAL REDOX COFACTOR, AND APPLICATIONS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-27 WO claimed
WO-2024098042-A2 GROWTH-BASED SELECTION PLATFORM FOR NONCANONICAL COFACTOR OXIDIZING ENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-10 WO claimed
US-20230322857-A1 RECOMBINANTLY ENGINEERED POLYPEPTIDES CAPABLE OF RECYCLING NONCANONICAL COFACTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US claimed
WO-2020123563-A1 ENGINEERED POLYPEPTIDES THAT EXHIBIT INCREASED CATALYTIC EFFICIENCY FOR UNNATURAL COFACTORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-18 WO claimed
WO-2025245512-A1 METHODS TO SHIFT REDOX EQUILIBRIUM USING AN ORTHOGONAL REDOX COFACTOR, AND APPLICATIONS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-27 WO disclosed
WO-2024098042-A2 GROWTH-BASED SELECTION PLATFORM FOR NONCANONICAL COFACTOR OXIDIZING ENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-10 WO disclosed
US-20230322857-A1 RECOMBINANTLY ENGINEERED POLYPEPTIDES CAPABLE OF RECYCLING NONCANONICAL COFACTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
WO-2020123563-A1 ENGINEERED POLYPEPTIDES THAT EXHIBIT INCREASED CATALYTIC EFFICIENCY FOR UNNATURAL COFACTORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-18 WO disclosed