SCHEMBL8621996

SCHEMBL8621996

CCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3CCC(N)C3)c(F)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.52
RPS6KB1 P23443 1/20 0.52
MATK P42679 1/20 0.52
DYRK1A Q13627 1/20 0.52
MAPKAPK3 Q16644 1/20 0.52
AURKB Q96GD4 1/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PMP22 Q01453 1/20 0.48
POLB P06746 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
TOP1 P11387 5/20 0.46
TOP2A P11388 8/20 0.43
TOP2B Q02880 6/20 0.43
FOXO1 Q12778 1/20 0.43

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
SCHEMBL9088627 0.96 PIM3 (0.52) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL9087988 0.92 ALDH1A1 (0.52) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL10509763 0.92 ALDH1A1 (0.52) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL9088336 0.92 PIM3 (0.48) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL9089065 0.90 PIM3 (0.50) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL10683743 0.90 POLB (0.52) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
Hydrochloric Acid SCHEMBL9688844 0.89 POLB (0.52) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL8110587 0.85 POLB (0.61) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL9087532 0.85 KDM4E (0.46) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL7997606 0.83 RPS6KB1 (0.51) PIM3RPS6KB1MATKDYRK1AMAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2815119-B2 1998-10-27 JP claimed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP claimed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP claimed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO claimed
US-5585491-A Antibacterial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
US-4920120-A 3-CARBOXY, 4-OXO, 6-FLUORO, 7-NITROGEN-CONTAINING RING 1,4-DIHYDRO-1,8-NAPHTHYRIDINES WARNER-LAMBERT COMPANY (US) 1990-04-24 US disclosed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO disclosed