SCHEMBL8620106

SCHEMBL8620106

CCCC(=O)NCCCSc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL8619539 0.92 HPGD (0.59) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8616688 0.91 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8613529 0.91 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8621032 0.91 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8621478 0.91 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8615172 0.91 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL9036946 0.91 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8619200 0.89 HPGD (0.57) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8616296 0.88 HPGD (0.57) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8619397 0.88 HPGD (0.57) HPGDALDH1A1SMN1; SMN2RAB9ANPC1

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-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed