SCHEMBL7490382

SCHEMBL7490382

COCn1c2ccc(F)cc2c2c(C(=O)O)nn(-c3ccccc3)c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ APP P05067 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ STAT1 P42224 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.37

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
SCHEMBL7751642 0.90 MAPT (0.49) MEN1KMT2AMAPTAPPADORA1
SCHEMBL7492350 0.89 POLB (0.42) MEN1KMT2APOLBMAPTAPP
SCHEMBL7497413 0.87 MAPT (0.42) MAPTPTGDR2
SCHEMBL7494560 0.84 LMNA (0.37) MAPTKDM4EALDH1A1PTGDR2
SCHEMBL7750405 0.83 SMN1; SMN2 (0.45) MEN1KMT2APOLBMAPTAPP
SCHEMBL7497760 0.82 KDM4E (0.38) MAPTMAPK1KDM4E
SCHEMBL7497068 0.76 DHODH (0.46) MAPTMAPK1KDM4EPTGDR2
SCHEMBL7750629 0.75 TSPO (0.45) MAPTMAPK1KDM4EALDH1A1PTGDR2
SCHEMBL7497415 0.72 KDM4E (0.41) MAPTMAPK1KDM4EALDH1A1PTGDR2
SCHEMBL7494156 0.72 TSPO (0.58) —

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
Send feedback