SCHEMBL9843745

SCHEMBL9843745

Cc1oc2c(Br)ccc(OC(=O)O)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 4/20 0.36
NCEH1 Q6PIU2 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MPI P34949 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
EDNRA P25101 1/20 0.31
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11482984 0.84 MAOA (0.35) ALDH1A1MAPTHPGDNCEH1KDM4E
SCHEMBL9843741 0.76 CYP1A2 (0.42) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL11465569 0.73 KDM4E (0.46) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL11480797 0.73 EDNRA (0.53) MAPTKDM4EGAAEDNRAHSD17B10
SCHEMBL11743754 0.72 EDNRA (0.58) ALDH1A1MAPTHPGDKDM4EEDNRA
SCHEMBL15821727 0.70 CYP1A2 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL9843715 0.68 CYP19A1 (0.34)
SCHEMBL3006414 0.68 KDM4E (0.35) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL399301 0.67 PTGDR2 (0.35) ALDH1A1HPGDNCEH1LMNAPKM
SCHEMBL11480937 0.67 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445073-A1 Benzofurans CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed