SCHEMBL28911964

SCHEMBL28911964

NC1(NC(=O)c2ccccn2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
MAPT P10636 3/20 0.51
GRM5 P41594 4/20 0.51
FPR2 P25090 1/20 0.51
LMNA P02545 2/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL7188498 0.86 GRM5 (0.54) GAAMAPTGRM5FPR2LMNA
SCHEMBL5836837 0.86 GRM5 (0.54) GAAMAPTGRM5FPR2LMNA
SCHEMBL1840355 0.82 GAA (0.60) GAAMAPTGRM5FPR2LMNA
SCHEMBL1839289 0.79 GAA (0.59) GAAMAPTGRM5FPR2LMNA
SCHEMBL31231772 0.79 GAA (0.59) GAAMAPTGRM5FPR2LMNA
SCHEMBL30043736 0.78 GRM5 (0.57) GAAMAPTGRM5FPR2LMNA
SCHEMBL30044683 0.78 ANO1 (0.54) GAAMAPTGRM5FPR2LMNA
SCHEMBL29660974 0.78 ANO1 (0.50) GAAMAPTGRM5FPR2LMNA
SCHEMBL14074318 0.78 CES2 (0.48) GAAMAPTGRM5LMNAHDAC3
SCHEMBL29836003 0.78 GRM5 (0.53) GAAMAPTGRM5FPR2LMNA

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
CN-112739345-A PIM kinase inhibitor compositions, methods and uses thereof 斯奈普生物公司 2021-04-30 CN disclosed