SCHEMBL7001998

SCHEMBL7001998

Cn1c2cc(Cl)ccc2c2c(C(=O)O)nn(-c3cccc(F)c3)c(=O)c21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.57
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
MAT2A P31153 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7001447 0.93 TSPO (0.62) TSPOPOLBMAPTTP53KDM4E
SCHEMBL5702445 0.91 TSPO (0.67) TSPOPOLBMAPTTP53
SCHEMBL7003506 0.90 TSPO (0.59) TSPOPOLBMAPTTP53
SCHEMBL7002472 0.87 TSPO (0.56) TSPOPOLBMAPTTP53KDM4E
SCHEMBL7632526 0.87 TSPO (0.54) TSPOPOLBMAPTTP53ALDH1A1
SCHEMBL7498096 0.84 TSPO (0.56) TSPOPOLBMAPTTP53KDM4E
SCHEMBL7626011 0.82 TSPO (0.64) TSPOMAPTTP53
SCHEMBL17959423 0.82 TSPO (0.83) TSPOPOLBMAT2A
SCHEMBL7003823 0.81 TSPO (0.71) TSPOPOLBMAPTTP53KDM4E
SCHEMBL5785794 0.80 POLB (0.46) TSPOPOLBMAPTTP53KDM4E

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-1149101-B1 4-OXO-3,5-DIHYDRO-4$i(H)-PYRIDAZINO 4,5-$i(b)]INDOLE-1-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI SYNTHELABO (FR) 2003-04-09 EP disclosed