SCHEMBL7855089

SCHEMBL7855089

Cc1cccc(Sc2cncc3sc(C=NOCC(N)=O)cc23)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 19/20 0.82
SELE P16581 19/20 0.82
VCAM1 P19320 9/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7052496 0.90 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7052501 0.90 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7060330 0.82 ICAM1 (0.84) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7060335 0.82 ICAM1 (0.84) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7054708 0.76 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7052402 0.67 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7057146 0.66 ICAM1 (0.80) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7057661 0.65 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL5550624 0.65 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7056197 0.63 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 WO disclosed