SCHEMBL7494763

SCHEMBL7494763

Cn1c2cccc(Br)c2c2c(CC(=O)N3CCCC3)nn(-c3ccccc3)c(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.45
TSHR P16473 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 2/20 0.39
PDE4B Q07343 1/20 0.38
SCN9A Q15858 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL7495009 0.89 TSPO (0.46) TSPOTSHRSMN1; SMN2GAALMNA
SCHEMBL7751594 0.87 TSPO (0.50) TSPOTSHRSMN1; SMN2GAAPOLB
SCHEMBL7501779 0.86 TSPO (0.55) TSPOTSHRSMN1; SMN2GAALMNA
SCHEMBL7496512 0.83 TSPO (0.47) TSPOTSHRSMN1; SMN2POLBMAPT
SCHEMBL7497735 0.81 TSPO (0.43) TSPOTSHRSMN1; SMN2GAALMNA
SCHEMBL7493004 0.79 TSPO (0.61) TSPOSMN1; SMN2RXFP1TP53ALDH1A1
SCHEMBL7498246 0.78 KDM4E (0.42) TSPOTSHRSMN1; SMN2GAALMNA
SCHEMBL7495976 0.76 CDK1 (0.44) KDM4EKMT2AHSD17B10HPGDRXFP1
SCHEMBL7499739 0.75 MAOB (0.48) TSPOTSHRGAAPOLBMAPT
SCHEMBL6256479 0.73 TSPO (0.71) TSPOTSHRSMN1; SMN2GAALMNA

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-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
US-6262045-B1 TREATMENT OF ANXIETY; SLEEP DISORDER; EPILEPSY; SPASTICITY; MUSCLE CONTRACTURE OR AN EXTRAPYRAMIDAL SYNDROM; INDUCING OR MAINTAINING ANAESTHESIA SANOFI-SYNTHELABO (FR) 2001-07-17 US disclosed