SCHEMBL7362337

SCHEMBL7362337

O=C(O)Cn1cc(O)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 1/20 0.47
AKR1B1 P15121 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
KMT2A Q03164 3/20 0.42
STAT3 P40763 1/20 0.42
TBXAS1 P24557 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
EPHX2 P34913 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
SCHEMBL25370049 0.88 AKR1A1 (0.45) AKR1A1AKR1B1SMN1; SMN2PTGDR2KMT2A
SCHEMBL25084322 0.84 IDO1 (0.52) AKR1A1AKR1B1SMN1; SMN2GAAIDO1
SCHEMBL18549620 0.81 IDO1 (0.49) AKR1A1AKR1B1SMN1; SMN2GAAIDO1
SCHEMBL26901577 0.81 SMN1; SMN2 (0.44) AKR1A1AKR1B1SMN1; SMN2GAAIDO1
SCHEMBL17023688 0.81 CFD (0.49) AKR1A1AKR1B1SMN1; SMN2GAAIDO1
SCHEMBL29781757 0.81 CFD (0.49) AKR1A1AKR1B1SMN1; SMN2GAAIDO1
SCHEMBL23368384 0.79 SMN1; SMN2 (0.48) AKR1A1AKR1B1SMN1; SMN2GAAIDO1
SCHEMBL443715 0.77 KRAS (0.59) AKR1A1AKR1B1SMN1; SMN2GAAIDO1
SCHEMBL2546174 0.77 KMT2A (0.62) GAAPTGDR2KMT2ASTAT3TBXAS1
SCHEMBL28598442 0.76 PTGDR2 (0.41) PTGDR2KMT2ASTAT3ALDH1A1KDM4E

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
EP-1231916-A2 USE OF INDIRUBINE DERIVATIVES FOR MAKING MEDICINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-08-21 EP disclosed
WO-2001037819-A2 USE OF INDIRUBINE DERIVATIVES FOR MAKING MEDICINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2001-05-31 WO disclosed
US-5789652-A BIOCHEMICAL GENE MARKERS IN ORGANS, BLOOD WITH ERYTHROCYTES,LYMPHOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US disclosed