SCHEMBL29707481

SCHEMBL29707481

O=C(O)c1cc(Br)cc2[nH]c(=O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHODH Q02127 1/20 0.43
GPR17 Q13304 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
AKR1C4 P17516 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
EZH2 Q15910 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL5465431 0.87 KDM4E (0.50) KDM4EALDH1A1POLBGAATDP1
SCHEMBL29707485 0.81 NR4A2 (0.47) KDM4EALDH1A1GAAL3MBTL1EZH2
SCHEMBL27030475 0.81 NR4A2 (0.47) KDM4EALDH1A1GAAL3MBTL1EZH2
SCHEMBL19179903 0.77 AKR1C3 (0.44) KDM4EALDH1A1POLBGAATDP1
SCHEMBL14279689 0.76 KDM4E (0.61) KDM4EALDH1A1POLBGAATDP1
SCHEMBL16115819 0.76 DHODH (0.44) KDM4EALDH1A1DHODHAKR1C3AKR1C2
SCHEMBL18878243 0.74 MEN1 (0.62) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL30020580 0.74 PBRM1 (0.54) KDM4EALDH1A1POLBGAATDP1
SCHEMBL6175041 0.74 PBRM1 (0.54) KDM4EALDH1A1POLBGAATDP1
SCHEMBL706591 0.74 PDE3B (0.43) KDM4EALDH1A1GAAPDE3BPDE3A

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
CN-114621191-B EZH2 inhibitor and preparation and application thereof 东南大学 2023-08-15 CN disclosed
CN-114621191-A EZH2 inhibitor and preparation and application thereof 东南大学 2022-06-14 CN disclosed