SCHEMBL7650520

SCHEMBL7650520

COC(=O)c1cc2c(I)cc(Cl)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.47
GRIN1 Q05586 1/20 0.46
CYP1A2 P05177 1/20 0.41
NR4A2 P43354 2/20 0.41
RHEB Q15382 7/20 0.40
ALOX15 P16050 1/20 0.40
XDH P47989 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9433015 0.84 GRIN1 (0.66) ULK1GRIN1CYP1A2NR4A2RHEB
SCHEMBL20535730 0.82 ULK1 (0.47) ULK1GRIN1CYP1A2NR4A2RHEB
SCHEMBL30310577 0.82 ULK1 (0.53) ULK1GRIN1CYP1A2NR4A2RHEB
SCHEMBL24020832 0.82 ULK1 (0.53) ULK1GRIN1CYP1A2NR4A2RHEB
SCHEMBL30310315 0.82 GRIN1 (0.50) ULK1GRIN1CYP1A2NR4A2RHEB
SCHEMBL24020651 0.82 GRIN1 (0.50) ULK1GRIN1CYP1A2NR4A2RHEB
SCHEMBL20536446 0.79 RHEB (0.47) ULK1GRIN1CYP1A2NR4A2RHEB
SCHEMBL20536478 0.77 RHEB (0.69) ULK1GRIN1CYP1A2NR4A2RHEB
SCHEMBL24190632 0.76 ULK1 (0.48) ULK1GRIN1CYP1A2NR4A2RHEB
SCHEMBL20536070 0.76 RHEB (0.46) ULK1GRIN1NR4A2RHEBXDH

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-6495587-B1 TREATING A DAMAGE TO THE CENTRAL NERVOUS SYSTEM INDUCED BY AN ISCHEMIC OR HYPOXIC CONDITION AND STROKE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-12-17 US disclosed
EP-1163220-A1 TRICYCLIC INDOLE-2-CARBOXYLIC ACID COMPOUND USED AS NMDA RECEPTOR ANTAGONIST SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-19 EP disclosed
WO-2000056711-A1 TRICYCLIC INDOLE-2-CARBOXYLIC ACID COMPOUND USED AS NMDA RECEPTOR ANTAGONIST SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2000-09-28 WO disclosed