SCHEMBL11071279

SCHEMBL11071279

CCCCN(Cc1ccncc1)C(=O)CCCOc1cccc2c1NC(=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 1/20 0.41
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL11062162 0.79 TRPM8 (0.44) LMNATSHRNPC1ALOX15MAPK1
SCHEMBL11071361 0.73 PDE3B (0.45) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL11071318 0.72 MAPT (0.41)
SCHEMBL11058886 0.71 PDE3B (0.51) PDE3BPDE3A
SCHEMBL11067771 0.70 PDE3B (0.41) L3MBTL1PDE3BPDE3AMAOAMAOB
SCHEMBL12090742 0.70 CYP19A1 (0.48) NPC1MAPK1ALDH1A1CYP19A1CYP11B1
SCHEMBL11278612 0.70 LMNA (0.46) LMNANPC1MAOAMAOB
SCHEMBL11071895 0.70 PDE3B (0.40) LMNAPDE3BPDE3ACYP19A1CYP11B1
SCHEMBL11065352 0.70 KMT2A (0.41) TSHRNPC1ALOX15MAPK1HSD17B10
SCHEMBL11069955 0.69 PDE3B (0.50) PDE3BPDE3A

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
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed