SCHEMBL8619200

SCHEMBL8619200

CCC(=O)NCCCSc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL8794735 0.92 HPGD (0.67) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8620106 0.89 HPGD (0.62) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8619539 0.87 HPGD (0.59) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8616688 0.86 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8613529 0.86 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8621478 0.86 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8621032 0.86 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL9036946 0.86 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8615172 0.86 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8616296 0.82 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