SCHEMBL8920068

SCHEMBL8920068

O=C(O)c1cn(C2CC2)c2nc(N3CCNCC3)c(F)cc2c1=O.O=c1ccc2cccnc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.53
LMNA P02545 3/20 0.53
CYP2C9 P11712 2/20 0.53
ATP6V1B2 P21281 1/20 0.53
TBXA2R P21731 1/20 0.53
EDNRA P25101 1/20 0.53
TARBP2 Q15633 1/20 0.53
TOP2A P11388 4/20 0.50
TOP2B Q02880 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
CHRM2 P08172 1/20 0.48
DRD1 P21728 1/20 0.48
ABCC4 O15439 1/20 0.47
DHFR P00374 1/20 0.46
PIK3CG P48736 1/20 0.44
KMT2A Q03164 1/20 0.41

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
SCHEMBL8126423 0.89 DPP4 (0.57) DPP4LMNATOP2ATOP2BKDM4E
SCHEMBL8922023 0.87 DPP4 (0.62) DPP4LMNACYP2C9ATP6V1B2TBXA2R
Enoxacin SCHEMBL8922307 0.86 LMNA (0.74) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL311935 0.86 LMNA (0.68) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8920926 0.84 DPP4 (0.54) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL11020192 0.83 LMNA (0.64) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL10377708 0.78 DPP4 (0.66) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL10377719 0.77 DPP4 (0.65) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL10377337 0.77 DPP4 (0.65) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9686438 0.77 DPP4 (0.68) DPP4LMNACYP2C9ATP6V1B2TBXA2R

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
US-5672600-A Antimicrobial dithiocarbamoyl quinolones THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
US-5387748-A Antimicrobial dithiocarbamoyl quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-02-07 US disclosed
WO-1990004591-A1 NOVEL ANTIMICROBIAL DITHIOCARBAMOYL QUINOLONES NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-05-03 WO disclosed
EP-0366643-A2 Novel antimicrobial dithiocarbamoyl quinolones Norwich Eaton Pharmaceuticals, Inc. (US) 1990-05-02 EP disclosed