SCHEMBL8827884

SCHEMBL8827884

O=C(Oc1cccc2[nH]nnc12)c1ccccc1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SLC6A3 Q01959 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL11253188 0.83 HSD17B10 (0.52) ESR1ESR2KMT2AMEN1LMNA
SCHEMBL6155017 0.79 LMNA (0.54) ESR1ESR2KMT2AMEN1LMNA
SCHEMBL8827881 0.79 LMNA (0.39) ESR1ESR2KMT2AMEN1LMNA
SCHEMBL4624103 0.78 KDM4E (0.50) ESR1ESR2KMT2AMEN1LMNA
SCHEMBL7707716 0.77 SLC22A6 (0.44) ESR1KMT2AMEN1LMNAKDM4E
SCHEMBL44289 0.76 MAPT (0.33) LMNAKDM4EHSD17B10PARP1POLB
SCHEMBL8844752 0.76 MAPT (0.33) LMNAKDM4EPARP1POLBMAPT
SCHEMBL7397635 0.75 SLC6A3 (0.44) ESR1ESR2KMT2AMEN1LMNA
SCHEMBL44290 0.75 LMNA (0.35) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL20479976 0.74 ENPP2 (0.31) ENPP2

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
US-5702952-A Labelled boronic acid derivatives AXIS BIOCHEMICALS ASA (NO) 1997-12-30 — — US disclosed
US-5631364-A Labelled boronic acid derivatives AXIS BIOCHEMICALS ASA (NO) 1997-05-20 — — US disclosed
Send feedback