SCHEMBL7005121

SCHEMBL7005121

CCN(CC)C(=O)c1nn(-c2cccc(OC)c2)c(=O)c2c1c1ccc(Cl)cc1n2C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
TP53 P04637 5/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 2/20 0.60
GAA P10253 2/20 0.56
TSPO P30536 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL7002472 0.87 TSPO (0.56) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL7626412 0.87 MAPT (0.55) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL3920705 0.86 TSPO (0.54) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL7626011 0.82 TSPO (0.64) MAPTTP53TSPOSMN1; SMN2
SCHEMBL7626419 0.80 TSPO (0.58) MAPTTP53ALDH1A1TSPOSMN1; SMN2
SCHEMBL7003823 0.80 TSPO (0.71) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL7001447 0.79 TSPO (0.62) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL7003506 0.79 TSPO (0.59) MAPTTP53POLBTSPO
SCHEMBL3923071 0.78 TSPO (0.55) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL5673626 0.77 MAPT (0.44) MAPTTP53KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149101-B1 4-OXO-3,5-DIHYDRO-4$i(H)-PYRIDAZINO 4,5-$i(b)]INDOLE-1-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI SYNTHELABO (FR) 2003-04-09 EP disclosed
US-6451795-B1 CENTRAL NEURODEGENERATIVE DISEASES SANOFI-SYNTHELABO (FR) 2002-09-17 US disclosed