SCHEMBL7968233

SCHEMBL7968233

Cn1c(=O)c(=O)[nH]c2cc(Br)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.56
GRIA2 P42262 2/20 0.56
GRIA3 P42263 2/20 0.56
GRIA4 P48058 2/20 0.56
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.44
PDE5A O76074 1/20 0.41
PDE9A O76083 1/20 0.41
METAP2 P50579 1/20 0.41
PARG Q86W56 1/20 0.40
PTGES O14684 1/20 0.39
MCL1 Q07820 1/20 0.38
CAMK2A Q9UQM7 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
LMNA P02545 1/20 0.38
CHEK1 O14757 1/20 0.37

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
SCHEMBL21848191 0.86 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4TP53
Hydrochloric Acid SCHEMBL27488313 0.85 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4TP53
SCHEMBL29502169 0.82 MAPT (0.59) TP53MAPTMETAP2LMNAAURKA
SCHEMBL625508 0.82 MAPT (0.59) TP53MAPTMETAP2LMNAAURKA
SCHEMBL7359339 0.81 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9398023 0.79 GRIA1 (0.65) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL31439104 0.79 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL5550237 0.79 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARG
SCHEMBL8403660 0.79 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4MAPT
Hydrochloric Acid SCHEMBL9395721 0.78 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-0315959-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-03-02 EP disclosed
US-5026704-A Neuroleptic agent, quisqualate-antagonist NOVO NORDISK A/S (DK) 1991-06-25 US disclosed
US-4948794-A NEUROLEPTIC AGENTS A/S FERROSAN (DK) 1990-08-14 US disclosed