SCHEMBL7496512

SCHEMBL7496512

CNC(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1c(Br)cccc1n2C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.47
RXFP1 Q9HBX9 2/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
TSHR P16473 3/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
P2RX7 Q99572 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 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
SCHEMBL7751594 0.89 TSPO (0.50) TSPORXFP1POLBKDM4EALDH1A1
SCHEMBL7497735 0.84 TSPO (0.43) TSPORXFP1POLBKDM4EALDH1A1
SCHEMBL7494763 0.83 TSPO (0.45) TSPORXFP1POLBKDM4EALDH1A1
SCHEMBL7498246 0.80 KDM4E (0.42) TSPORXFP1POLBKDM4EALDH1A1
SCHEMBL7495976 0.78 CDK1 (0.44) RXFP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL7750505 0.74 TSPO (0.61) TSPORXFP1POLBKDM4EALDH1A1
SCHEMBL7495009 0.72 TSPO (0.46) TSPORXFP1POLBKDM4EHPGD
SCHEMBL600372 0.70 TSPO (0.78) TSPOPOLBKDM4EALDH1A1TP53
SCHEMBL7501779 0.68 TSPO (0.55) TSPORXFP1POLBKDM4EALDH1A1
SCHEMBL7750388 0.67 TSPO (0.56) TSPORXFP1POLBKDM4EALDH1A1

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