SCHEMBL7393115

SCHEMBL7393115

CCCCCCC(Sc1ccccn1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
ADAM17 P78536 1/20 0.51
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC3 O15379 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 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
SCHEMBL11880693 0.86 TDP1 (0.44) HPGDSMN1; SMN2HSD17B10KDM4EMEN1
Hydroxyamine SCHEMBL7069519 0.84 TDP1 (0.53) HPGDSMN1; SMN2HSD17B10TDP1PPARG
SCHEMBL9430038 0.82 SHMT2 (0.48) HPGDSMN1; SMN2HSD17B10KDM4EMEN1
SCHEMBL11822590 0.80 TDP1 (0.48) HPGDSMN1; SMN2HSD17B10KDM4EMEN1
SCHEMBL11822708 0.80 SMN1; SMN2 (0.45) HPGDSMN1; SMN2HSD17B10KDM4EMEN1
SCHEMBL22446603 0.80 SMN1; SMN2 (0.41) HPGDSMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL8856859 0.79
SCHEMBL11875291 0.79 MAPT (0.40) MMP9HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL6932388 0.79 HTT (0.43) MMP9MMP13ADAM17MEN1KMT2A
SCHEMBL7509127 0.77 MMP9 (0.44) MMP9MMP13ADAM17HPGDHSD17B10

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-6172057-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-01-09 US disclosed