SCHEMBL7857512

SCHEMBL7857512

NC(=O)c1cc2c(CC(=O)c3ccc(Cl)cc3)cncc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 14/20 0.58
SELE P16581 14/20 0.58
VCAM1 P19320 4/20 0.58
CDK8 P49336 4/20 0.58
CCNC P24863 3/20 0.58
CDK9 P50750 2/20 0.58
CCNT1 O60563 1/20 0.58
DAPK3 O43293 4/20 0.48
PIM1 P11309 4/20 0.48
PRKACA P17612 4/20 0.48
KDR P35968 4/20 0.48
MAPK8 P45983 4/20 0.48
GSK3A P49840 4/20 0.48
GSK3B P49841 4/20 0.48
LIMK1 P53667 4/20 0.48
CDK5 Q00535 4/20 0.48
PLK4 O00444 3/20 0.48
CHEK2 O96017 3/20 0.48
CDK1 P06493 3/20 0.48
FGFR1 P11362 3/20 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
SCHEMBL7855367 0.85 CCNC (0.61) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7250679 0.80 ICAM1 (0.66) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7642734 0.78 ICAM1 (0.64) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7055360 0.76 PIM1 (0.76) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7054697 0.73 ICAM1 (1.00) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7055361 0.73 ICAM1 (1.00) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7055169 0.73 ICAM1 (1.00) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7058163 0.73 ICAM1 (1.00) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7058161 0.72 ICAM1 (0.59) ICAM1SELEVCAM1CDK8CCNC
Formamide SCHEMBL7052564 0.72 PIM1 (0.70) ICAM1SELEVCAM1CDK8CCNC

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