SCHEMBL7002472

SCHEMBL7002472

COc1cccc(-n2nc(C(=O)O)c3c4ccc(Cl)cc4n(C)c3c2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.56
TP53 P04637 6/20 0.52
POLB P06746 3/20 0.52
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PTK2B Q14289 1/20 0.47
GAA P10253 2/20 0.47
MAP4K4 O95819 1/20 0.47
AURKB Q96GD4 1/20 0.47
SRPK1 Q96SB4 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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 0.92 TSPO (0.62) TSPOTP53POLBMAPTKDM4E
SCHEMBL5702445 0.90 TSPO (0.67) TSPOTP53POLBMAPT
SCHEMBL7626412 0.88 MAPT (0.55) TSPOTP53POLBMAPTKDM4E
SCHEMBL7005121 0.87 MAPT (0.60) TSPOTP53POLBMAPTKDM4E
SCHEMBL7001998 0.87 TSPO (0.57) TSPOTP53POLBMAPTKDM4E
SCHEMBL7498096 0.81 TSPO (0.56) TSPOTP53POLBMAPTKDM4E
SCHEMBL7626011 0.81 TSPO (0.64) TSPOTP53MAPT
SCHEMBL7626419 0.81 TSPO (0.58) TSPOTP53MAPTALDH1A1HPGD
SCHEMBL7003823 0.80 TSPO (0.71) TSPOTP53POLBMAPTKDM4E
SCHEMBL7631555 0.80 TSPO (0.65) TSPOMAPTKDM4EALDH1A1HPGD

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