SCHEMBL7410168

SCHEMBL7410168

O=C(O)c1cc2cc(Br)cc(Br)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
DAO P14920 2/20 0.42
GPR35 Q9HC97 2/20 0.42
MAPT P10636 1/20 0.42
SRD5A2 P31213 1/20 0.42
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
APEX1 P27695 1/20 0.41
AKR1C4 P17516 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
SCHEMBL214488 0.84 HPGD (0.53) XDHHPGDALDH1A1KDM4ELMNA
SCHEMBL3031256 0.82 HPGD (0.46) XDHHPGDALDH1A1KDM4ELMNA
SCHEMBL18661924 0.82 IDO1 (0.46) HPGDALDH1A1KDM4ELMNAHSD17B10
SCHEMBL3543391 0.82 DAO (0.46) HPGDALDH1A1KDM4ELMNAHSD17B10
SCHEMBL3708783 0.82 XDH (0.69) XDHHPGDALDH1A1KDM4ELMNA
SCHEMBL16571035 0.78 DAO (0.43) XDHHPGDALDH1A1KDM4ELMNA
SCHEMBL16571479 0.78 XDH (0.42) XDHHPGDALDH1A1KDM4ELMNA
SCHEMBL2660159 0.77 APEX1 (0.62) XDHHPGDALDH1A1KDM4ELMNA
SCHEMBL3722103 0.76 HSD17B10 (0.60) HPGDALDH1A1KDM4ELMNAHSD17B10
SCHEMBL15340715 0.76 FBP1 (0.47) XDHHPGDALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547991-A NMDA antagonism method MERRELL PHARMACEUTICALS INC. (US) 1996-08-20 US disclosed
US-5484814-A NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-16 US disclosed
US-5470870-A New class of excitatory amino acid antagonist for epilepsy, anxiety or stroke MERRELL DOW PHARMACEUTICALS INC. (US) 1995-11-28 US disclosed
EP-0501378-B1 NMDA Antagonists MERRELL DOW PHARMA (US) 1995-01-11 EP disclosed
US-5360814-A NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-01 US disclosed
EP-0501378-A1 NMDA Antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-02 EP disclosed