SCHEMBL9838599

SCHEMBL9838599

CC1CN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CCN1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.61
HRH3 Q9Y5N1 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 6/20 0.59
HPGD P15428 6/20 0.59
HSD17B10 Q99714 5/20 0.59
POLB P06746 3/20 0.59
OPRM1 P35372 2/20 0.59
PRKD3 O94806 1/20 0.59
ALOX15 P16050 1/20 0.59
CLK2 P49760 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CACNA1F O60840 1/20 0.55
MAPK1 P28482 1/20 0.55
CACNA1D Q01668 1/20 0.55
CACNA1S Q13698 1/20 0.55
CACNA1C Q13936 1/20 0.55

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
SCHEMBL9838718 0.93 MEN1 (0.68) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8554461 0.91 KCNH2 (0.69) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL9837304 0.90 KCNH2 (0.69) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL9839457 0.87 ALDH1A1 (0.50) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL9435467 0.86 MEN1 (0.79) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8558544 0.85 KCNH2 (0.66) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL9688214 0.84 POLB (0.69) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8555217 0.83 MEN1 (0.68) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8558517 0.83 KCNH2 (0.70) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL8433684 0.83 ALDH1A1 (0.77) KCNH2HRH3MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP claimed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US claimed
CN-86108942-A Amino and the 5-hydroxyl-6 as the 5-of antimicrobial drug, 8-two fluoroquinolones 1987-11-04 CN claimed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 EP claimed
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP disclosed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US disclosed
CN-86108942-A Amino and the 5-hydroxyl-6 as the 5-of antimicrobial drug, 8-two fluoroquinolones 1987-11-04 CN disclosed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 EP disclosed