SCHEMBL7260351

SCHEMBL7260351

c1ccc(CNc2ccc[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
THRB P10828 1/20 0.46
CDC25B P30305 1/20 0.44
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FABP1 P07148 1/20 0.41
FABP6 P51161 1/20 0.41
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL14980560 0.84 KDM4E (0.46) HSD17B10KMT2AMEN1MAPTKDM4E
SCHEMBL11741569 0.71
SCHEMBL5806703 0.71
SCHEMBL4581202 0.71
SCHEMBL6266880 0.70
SCHEMBL28858799 0.70
SCHEMBL5394291 0.69 CYP19A1 (0.52) HTTHSD17B10KMT2AMEN1KDM4E
SCHEMBL28677353 0.69 MEN1 (0.50) IDO1THRBKMT2AMEN1TDP1
SCHEMBL5514932 0.69 PARP1 (0.45) MAPTKDM4EPOLB
SCHEMBL10404614 0.68

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
WO-2003068738-A1 PYRROLE DERIVATIVES AS LIGANDS OF MELANOCORTIN RECEPTORS NEUROCRINE BIOSCIENCES, INC. (US) 2003-08-21 WO disclosed