SCHEMBL13075646

SCHEMBL13075646

OBc1cnn(Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
CREBBP Q92793 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
CYP19A1 P11511 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
GAA P10253 1/20 0.41
SCD O00767 2/20 0.41
SCD5 Q86SK9 2/20 0.41

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
SCHEMBL7253614 0.78 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL272966 0.78 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL1244019 0.76 L3MBTL1 (0.61) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL6264956 0.76 L3MBTL1 (0.65) L3MBTL1CREBBPPOLBTDP1CYP19A1
SCHEMBL17298120 0.75 L3MBTL1 (0.59) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL10283891 0.74 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL950986 0.74 MAPT (0.67) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL130830 0.74 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1CYP19A1
SCHEMBL2413457 0.74 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL14920616 0.74 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3

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-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 WO disclosed