SCHEMBL6698154

SCHEMBL6698154

O=[C]c1cnc2c(F)c(F)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.38
PARP1 P09874 2/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL25519639 0.73 CCR1 (0.67) ABCG2PARP1CCR1CCR5CCR8
SCHEMBL7082437 0.73 ABCG2 (0.37) ABCG2PARP1CCR1CCR5CCR8
SCHEMBL28012715 0.73 ABCG2 (0.37) ABCG2CCR1CCR5CCR8
SCHEMBL29801578 0.73 TET2 (0.44) ABCG2CCR1CCR5CCR8
SCHEMBL12483903 0.73 TET2 (0.44) ABCG2CCR1CCR5CCR8
SCHEMBL12483271 0.73 ABCG2 (0.40) ABCG2CCR1CCR5CCR8
SCHEMBL28088161 0.73 ABCG2 (0.37) ABCG2CCR1CCR5CCR8
SCHEMBL6698156 0.72 ABCG2 (0.38) ABCG2PARP1CCR1CCR5CCR8
SCHEMBL29940529 0.71 PSMD14 (0.53) ABCG2
SCHEMBL7085565 0.70 PSMD14 (0.54) ABCG2PARP1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0992509-B1 Novel macrolide derivatives PFIZER PROD INC (US) 2004-09-22 EP disclosed
US-6100240-A USEFUL AS ANTIBACTERIAL AGENTS AND ANTIPROTOZOA AGENTS PFIZER INC (US) 2000-08-08 US disclosed
EP-0992509-A2 Novel macrolide derivatives Pfizer Products Inc. (US) 2000-04-12 EP disclosed
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 US disclosed