SCHEMBL27729369

SCHEMBL27729369

Oc1cccc(Cn2cccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.63
▸ TSHR P16473 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ PRKACG P22612 1/20 0.47
▸ PRKACB P22694 1/20 0.47
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ GLS O94925 3/20 0.45
▸ GRK6 P43250 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ CA12 O43570 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
SCHEMBL14256403 0.87 HTT (0.68) HTTTSHRKMT2AMEN1ALOX15
SCHEMBL14987117 0.83 HTT (0.63) HTTTSHRKMT2AMEN1ALOX15
SCHEMBL7627846 0.82 MAPT (0.62) HTTTSHRKMT2AMEN1ALOX15
SCHEMBL3347596 0.81 HTT (0.60) HTTTSHRKMT2AMEN1ALOX15
SCHEMBL13933220 0.81 HTT (0.60) HTTTSHRKMT2AMEN1ALOX15
SCHEMBL1851019 0.79 HTT (0.59) HTTTSHRKMT2AMEN1ALOX15
SCHEMBL1459408 0.79 HTT (0.59) HTTTSHRKMT2AMEN1ALOX15
SCHEMBL30046565 0.79 HTT (0.59) HTTTSHRKMT2AMEN1HDAC1
SCHEMBL16347168 0.79 HTT (0.59) HTTTSHRKMT2AMEN1HDAC1
SCHEMBL10053588 0.79 HTT (0.59) HTTTSHRKMT2AMEN1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101220058-B Chirality and non-chirality PCN pincerlike palladium compound, synthesizing method and uses UNIV ZHENGZHOU 2012-01-25 — — CN disclosed
CN-101220058-A Chirality and non-chirality PCN pincerlike palladium compound, synthesizing method and uses UNIV ZHENGZHOU (CN) 2008-07-16 — — CN disclosed
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