SCHEMBL8926023

SCHEMBL8926023

NC(=S)NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
OPRM1 P35372 2/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
OPRD1 P41143 1/20 0.60
KCNH2 Q12809 6/20 0.59
KDM4E B2RXH2 7/20 0.55
HPGD P15428 3/20 0.55
LMNA P02545 1/20 0.55
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
CLK2 P49760 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
TOP2A P11388 4/20 0.51
TOP2B Q02880 4/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL10522302 0.88 ALDH1A1 (0.62) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9382132 0.88 KCNH2 (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9386571 0.88 KCNH2 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9382881 0.88 KCNH2 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9383075 0.88 KCNH2 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10485368 0.88 KCNH2 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9383100 0.87 KCNH2 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9383106 0.87 KCNH2 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9384134 0.87 KCNH2 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9127826 0.86 ALDH1A1 (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1

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-5631256-A IMPROVED POTENCY, BROADER SPECTRUM THE PROCTER & GAMBLE COMPANY (US) 1997-05-20 US disclosed
US-5328908-A Antimicrobial quinolone thioureas PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-07-12 US disclosed
EP-0593457-A1 ANTIMICROBIAL QUINOLONE THIOUREAS Norwich-Eaton Pharmaceuticals, Inc. (US) 1994-04-27 EP disclosed
EP-0593457-A4 ANTIMICROBIAL QUINOLONE THIOUREAS. NORWICH EATON PHARMA (US) 1993-01-15 EP disclosed
WO-1991016310-A1 ANTIMICROBIAL QUINOLONE THIOUREAS NORWICH-EATON PHARMACEUTICALS, INC. (US) 1991-10-31 WO disclosed