SCHEMBL8649593

SCHEMBL8649593

CC(=O)C(Oc1ccccc1)C(=O)ON1CCN(c2cc(C)nc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.58
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.50
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
USP2 O75604 2/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL8632788 0.84 MAPT (0.37) NCF1KMT2AMAPTHTTLMNA
SCHEMBL8700057 0.79 NCF1 (0.59) NCF1MEN1KMT2AMAPTHTT
SCHEMBL8633528 0.78 AOC3 (0.39) KMT2AMAPTMAPK1HSD17B10NPSR1
SCHEMBL8633669 0.76 CYP2C9 (0.44) MAPTMAPK1SMN1; SMN2TSHRKDM4E
SCHEMBL900155 0.73 NCF1 (0.82) NCF1MEN1KMT2AMAPTHTT
SCHEMBL15277916 0.72 NCF1 (0.75) NCF1MEN1KMT2AMAPTHTT
SCHEMBL8649587 0.71 NCF1 (0.60) NCF1MEN1KMT2AMAPTHTT
SCHEMBL5065450 0.71 NCF1 (0.88) NCF1MEN1KMT2AMAPTHTT
SCHEMBL17276464 0.71 NCF1 (0.79) NCF1MEN1KMT2AMAPTHTT
SCHEMBL8631977 0.70 ROCK2 (0.42) MEN1KMT2AMAPTHTTLMNA

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-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed