SCHEMBL8869743

SCHEMBL8869743

CC(C)n1c(C(C)(C)C)cnc1S

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.31

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
SCHEMBL10183083 0.78 ALDH1A1 (0.33) DHFR
SCHEMBL13012529 0.78 DHFR (0.31) DHFR
SCHEMBL13012534 0.66 DHFR (0.36) DHFR
SCHEMBL17083431 0.61 LMNA (0.42)
SCHEMBL14477820 0.61 ALDH1A1 (0.33)
SCHEMBL14477887 0.60 ADORA3 (0.31)
SCHEMBL26073788 0.60
SCHEMBL14479096 0.59 MAP3K12 (0.32)
SCHEMBL20847874 0.58 ALDH1A1 (0.32)
SCHEMBL20643801 0.58 DHFR (0.32) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665746-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed
US-5594135-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1997-01-14 US disclosed
US-5589473-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1996-12-31 US disclosed
EP-0535192-B1 NOVEL DNA GYRASE INHIBITORS, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME HOFFMANN LA ROCHE (CH) 1996-06-19 EP disclosed
US-5486466-A ENZYME INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-01-23 US disclosed
EP-0675122-A2 Mono or bicyclic DNA gyrase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-10-04 EP disclosed
US-5399741-A DNA gyrase inhibitors, process for their manufacture and pharmaceutical preparations containing same HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
US-5294609-A Microbiocides HOFFMANN-LAROCHE INC. (US) 1994-03-15 US disclosed
EP-0535192-A1 NOVEL DNA GYRASE INHIBITORS, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME. HOFFMANN LA ROCHE (CH) 1993-04-07 EP disclosed
WO-1992018490-A1 NOVEL DNA GYRASE INHIBITORS, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME F. HOFFMANN-LA ROCHE AG (CH) 1992-10-29 WO disclosed