SCHEMBL23925145

SCHEMBL23925145

O=C1NCCN(C(=O)O)C1c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
BACE1 P56817 4/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL25187320 0.81 NR1H2 (0.46) ALDH1A1KDM4ELMNA
SCHEMBL4030428 0.81 SCN9A (0.41) ALDH1A1KDM4EKMT2ALMNATSHR
SCHEMBL23925096 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2ALMNATSHR
SCHEMBL1583698 0.80 HTR2C (0.41) ALDH1A1KDM4EKMT2ALMNATSHR
SCHEMBL4027232 0.73 KMT2A (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL1394514 0.71 POLB (0.50) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4026763 0.71 TACR1 (0.42) KMT2A
SCHEMBL4025816 0.71 TACR1 (0.42) KMT2A
SCHEMBL2656685 0.70 MTNR1A (0.42) KMT2AMEN1PKM
SCHEMBL27567696 0.70 HDAC1 (0.43) ALDH1A1KMT2AHTT

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-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP disclosed
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed