SCHEMBL9234629

SCHEMBL9234629

C=CCc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GSK3B P49841 13/20 0.49
▸ TOP2A P11388 4/20 0.49
▸ TOP2B Q02880 4/20 0.49
▸ KCNH2 Q12809 2/20 0.48
▸ CACNA1F O60840 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CACNA1D Q01668 1/20 0.48
▸ CACNA1S Q13698 1/20 0.48
▸ CACNA1C Q13936 1/20 0.48
▸ HRH3 Q9Y5N1 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
SCHEMBL9286042 0.94 MEN1 (0.49) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL8112475 0.85 MEN1 (0.56) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL1344780 0.83 MEN1 (0.68) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL8327189 0.82 MEN1 (0.54) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9283024 0.82 KCNH2 (0.48) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL5868648 0.81 GSK3B (0.60) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL9278706 0.81 TOP2A (0.44) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL6216504 0.79 MEN1 (0.58) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL1345769 0.78 GSK3B (0.70) MEN1KMT2AGSK3BTOP2ATOP2B
SCHEMBL8097562 0.78 MEN1 (0.57) MEN1KMT2AGSK3BTOP2ATOP2B

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
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