SCHEMBL7495009

SCHEMBL7495009

Cc1cccc2c1c1c(CC(=O)N3CCCC3)nn(-c3ccccc3)c(=O)c1n2C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.46
TSHR P16473 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 4/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.39
PDE4B Q07343 1/20 0.39
SCN9A Q15858 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
SCHEMBL7494763 0.89 TSPO (0.45) TSPOTSHRSMN1; SMN2GAAMAPT
SCHEMBL7501779 0.87 TSPO (0.55) TSPOTSHRSMN1; SMN2GAAMAPT
SCHEMBL7493004 0.80 TSPO (0.61) TSPOSMN1; SMN2RXFP1TP53
SCHEMBL7499739 0.76 MAOB (0.48) TSPOTSHRGAAMAPTPOLB
SCHEMBL7751594 0.75 TSPO (0.50) TSPOTSHRSMN1; SMN2GAAMAPT
SCHEMBL6256479 0.74 TSPO (0.71) TSPOTSHRSMN1; SMN2GAAMAPT
SCHEMBL4836958 0.72 TSPO (0.61) TSPOHPGD
SCHEMBL7750505 0.72 TSPO (0.61) TSPOTSHRSMN1; SMN2GAAMAPT
SCHEMBL7496512 0.72 TSPO (0.47) TSPOTSHRSMN1; SMN2MAPTPOLB
SCHEMBL5747445 0.72 TSPO (0.61) TSPOSMN1; SMN2HPGDKDM4ETP53

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-1000063-B1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SYNTHELABO (FR) 2002-10-23 EP disclosed