SCHEMBL9724928

SCHEMBL9724928

O=C(O)c1cc(Br)cc2c1NCCC2C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
AKR1C4 P17516 1/20 0.37
HSD17B10 Q99714 1/20 0.33
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 2/20 0.33
GLA P06280 1/20 0.33
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL9724907 0.80 NNMT (0.32) PIM1CHEK1AURKADAPK3PRKD3
SCHEMBL9725039 0.80 PTGDR2 (0.32) PIM1CHEK1AURKADAPK3PRKD3
SCHEMBL27323304 0.76
SCHEMBL9724955 0.76 CDC25B (0.43) KDM4EMEN1MAPTKMT2A
SCHEMBL9724948 0.75 SLC6A2 (0.32) KDM4EMEN1KMT2A
SCHEMBL9725038 0.70 AKR1C3 (0.36) KDM4EMEN1MAPTKMT2AAKR1C3
SCHEMBL9471242 0.70 AKR1C3 (0.42) KDM4EMEN1MAPTKMT2AAKR1C3
SCHEMBL9724983 0.69 METAP2 (0.42) KDM4EMAPT
SCHEMBL9181313 0.69 AKR1C3 (0.38) KDM4EAKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL4035775 0.68 KDM4E (0.43) KDM4EMEN1MAPTKMT2AAKR1C3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112836-A Autoimmune diseases, antirheumatic agents and metabolic bone diseases KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-05-12 US disclosed
CN-1048216-A Novel ring o-amino benzoyl acid carboxylic acid derivatives SHU OGIHARA CO LTD (JP) 1991-01-02 CN disclosed
EP-0403980-A1 Novel cyclic anthranilic acid carboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-12-27 EP disclosed