SCHEMBL31574466

SCHEMBL31574466

COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2C(=O)CCC(=O)O)cc1O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAOA P21397 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
EGFR P00533 1/20 0.54
BRAF P15056 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL31574554 0.93 MAOA (0.64) POLBKDM4EALDH1A1MAOAMEN1
SCHEMBL31574569 0.92 POLB (0.68) POLBKDM4EALDH1A1MAOAMEN1
SCHEMBL31574473 0.89 POLB (0.58) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL3318074 0.89 KDM4E (0.69) POLBKDM4EALDH1A1MAOAMEN1
SCHEMBL31574508 0.85 MEN1 (0.54) POLBMAOAMEN1KMT2A
SCHEMBL3314287 0.84 KDM4E (0.74) POLBKDM4EALDH1A1MAOAMEN1
SCHEMBL31574503 0.84 MAOA (0.65) POLBKDM4EALDH1A1MAOAMEN1
SCHEMBL31574500 0.84 MAOA (0.62) POLBKDM4EMAOAMEN1KMT2A
SCHEMBL3314425 0.83 KDM4E (0.70) POLBKDM4EALDH1A1MAOAMEN1
SCHEMBL10074852 0.83 POLB (0.68) POLBKDM4EALDH1A1MAOAMEN1

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
CN-119998272-A Methanogen inhibitors 阿格里泽伦茨有限合伙公司 2025-05-13 CN disclosed