SCHEMBL11298149

SCHEMBL11298149

O=C(O)C(C(=O)O)c1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.60
PDPK1 O15530 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
PTGS2 P35354 2/20 0.50
POLB P06746 1/20 0.50
AHR P35869 1/20 0.50
ABCC4 O15439 1/20 0.50
C5 P01031 1/20 0.50
MAPT P10636 1/20 0.50
PTGS1 P23219 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SRC P12931 1/20 0.47
GPR3 P46089 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP17A1 P05093 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 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
SCHEMBL7517221 0.85 KIF11 (0.58) KIF11PDPK1KMT2AMEN1PTGS2
SCHEMBL498758 0.84 PTGS2 (0.70) KIF11PDPK1KMT2AMEN1PTGS2
SCHEMBL29760781 0.84 PTGS2 (0.70) KIF11PDPK1KMT2AMEN1PTGS2
SCHEMBL12286224 0.78 KIF11 (0.66) KIF11KMT2AMEN1PTGS2AHR
SCHEMBL7516727 0.78 KIF11 (0.57) KIF11PDPK1KMT2AMEN1PTGS2
SCHEMBL27542917 0.76 KMT2A (0.49) PDPK1KMT2AMEN1POLBAHR
Carbazole SCHEMBL8411559 0.75 ALDH1A1 (0.74) KIF11KMT2AMEN1POLBAHR
SCHEMBL10892550 0.75 KIF11 (1.00) KIF11AHRMAPTALDH1A1KDM4E
SCHEMBL11067278 0.74 KMT2A (0.66) KIF11KMT2AMEN1PTGS2AHR
SCHEMBL8189543 0.74 KIF11 (0.60) KIF11KMT2AMEN1PTGS2ABCC4

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-0008446-B1 PROCESS FOR THE PREPARATION OF CARBAZOLES AND NOVEL CARBAZOLE DERIVATIVES UTILIZED THEREIN F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-22 EP disclosed