SCHEMBL31574473

SCHEMBL31574473

COc1cc(C2CC(c3ccc(Cl)cc3)=NN2C(=O)CCC(=O)O)ccc1F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 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
SCHEMBL31574569 0.92 POLB (0.68) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL31574554 0.91 MAOA (0.64) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL31574466 0.89 POLB (0.58) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL31574581 0.88 MEN1 (0.58) MEN1KMT2A
SCHEMBL3318074 0.87 KDM4E (0.69) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL3314287 0.84 KDM4E (0.74) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL31574500 0.84 MAOA (0.62) POLBMEN1KMT2AKDM4ENPC1
SCHEMBL31574508 0.83 MEN1 (0.54) POLBMEN1KMT2A
SCHEMBL10074852 0.83 POLB (0.68) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL14444134 0.82 POLB (0.67) POLBMEN1KMT2AKDM4EALDH1A1

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