SCHEMBL9088918

SCHEMBL9088918

Cc1c(F)c(N2CCC(N)C2)c(C(F)(F)F)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
TOP2A P11388 12/20 0.48
TOP2B Q02880 7/20 0.48
TOP1 P11387 4/20 0.48
EPHA2 P29317 1/20 0.43
FLT4 P35916 1/20 0.43
GSK3B P49841 1/20 0.43
RARB P10826 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MATK P42679 1/20 0.43
DYRK1A Q13627 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
PIM3 Q86V86 1/20 0.43
AURKB Q96GD4 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
SCHEMBL9088866 0.92 KMT2A (0.60) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL8619695 0.92 KMT2A (0.60) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL9085092 0.89 KMT2A (0.57) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL9086611 0.87 KCNH2 (0.50) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL5868717 0.83 KMT2A (0.60) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL8625264 0.82 KMT2A (0.60) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL9087203 0.82 KMT2A (0.37) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL9869658 0.81 KMT2A (0.69) KMT2ATOP2ATOP2BTOP1
SCHEMBL9088336 0.81 PIM3 (0.48) TOP2ATOP2BTOP1GSK3BRPS6KB1
SCHEMBL9089412 0.81 POLB (0.56) KMT2ATOP2ATOP2BGSK3BRPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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