SCHEMBL8924402

SCHEMBL8924402

CN(C)C(=S)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
KDM4E B2RXH2 4/20 0.77
LMNA P02545 3/20 0.70
HSD17B10 Q99714 3/20 0.70
HPGD P15428 2/20 0.70
MAPT P10636 1/20 0.70
CYP1A2 P05177 1/20 0.68
TOP2A P11388 1/20 0.68
CYP2C9 P11712 1/20 0.68
TOP2B Q02880 1/20 0.68
PIK3CG P48736 7/20 0.64
PIK3CD O00329 5/20 0.63
PIK3R1 P27986 5/20 0.63
PIK3CA P42336 5/20 0.63
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL10809680 0.90 KDM4E (0.80) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL8924080 0.88 KDM4E (0.80) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL8192604 0.87 KDM4E (0.78) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL29350842 0.87 KDM4E (1.00) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL10809240 0.87 KDM4E (1.00) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL4716092 0.87 KDM4E (0.68) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL8924883 0.86 KDM4E (0.75) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL10807306 0.85 KDM4E (0.81) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL2780752 0.85 ALDH1A1 (0.81) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL29576608 0.85 ALDH1A1 (0.81) ALDH1A1KDM4ELMNAHSD17B10HPGD

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