SCHEMBL7497068

SCHEMBL7497068

CCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.46
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSPO P30536 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL7750629 0.90 TSPO (0.45) DHODHMAPTKDM4EMAPK1L3MBTL1
SCHEMBL7497413 0.90 MAPT (0.42) DHODHMAPTTSPOJAK2JAK3
SCHEMBL7497415 0.89 KDM4E (0.41) DHODHMAPTKDM4EMAPK1L3MBTL1
SCHEMBL7499843 0.87 CYP1A2 (0.41) DHODHMAPTKDM4EMAPK1L3MBTL1
SCHEMBL7494156 0.86 TSPO (0.58) TSPO
SCHEMBL7492350 0.85 POLB (0.42) MAPTKDM4EMAPK1L3MBTL1PTGDR2
SCHEMBL7750405 0.84 SMN1; SMN2 (0.45) MAPTKDM4EMAPK1L3MBTL1
SCHEMBL7494560 0.81 LMNA (0.37) MAPTKDM4ETSPOMAPK14JAK2
SCHEMBL7497760 0.78 KDM4E (0.38) MAPTKDM4EMAPK1TSPOJAK2
SCHEMBL7490382 0.76 MEN1 (0.42) MAPTKDM4EMAPK1PTGDR2

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
Send feedback