SCHEMBL9040716

SCHEMBL9040716

COC(=O)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
KCNN4 O15554 2/20 0.48
CA12 O43570 3/20 0.48
CA7 P43166 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA9 Q16790 2/20 0.48
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LTA4H P09960 1/20 0.43
AKT1 P31749 1/20 0.43
CA1 P00915 1/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
ESRRB O95718 1/20 0.41
TSHR P16473 1/20 0.41
DUT P33316 2/20 0.40

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
SCHEMBL16427979 0.90 LMNA (0.49) KIF11KCNN4CA12CA7CA14
SCHEMBL22916699 0.82 KCNN4 (0.52) KIF11KCNN4LMNAALDH1A1KDM4E
SCHEMBL4211757 0.82 KIF11 (0.57) KIF11KCNN4ALDH1A1KDM4EMAPT
SCHEMBL10276699 0.80 KIF11 (0.46) KIF11LMNAALDH1A1HTTHSD17B10
SCHEMBL6751139 0.79 KIF11 (0.58) KIF11KCNN4LMNAKDM4EMAPT
SCHEMBL6946437 0.78 PPARD (0.46) LMNAALDH1A1KDM4ELTA4H
SCHEMBL6854133 0.77 KIF11 (0.47) KIF11LMNAALDH1A1CA1HSD17B10
SCHEMBL13784940 0.77 KIF11 (0.41) KIF11KCNN4LMNAALDH1A1KDM4E
SCHEMBL6750471 0.77 KIF11 (0.47) KIF11LMNAALDH1A1CA1HSD17B10
SCHEMBL6940665 0.77 PPARD (0.47) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4134104-A1 TARGETED PROTEASE DEGRADATION (TED) PLATFORM Eubulus Biotherapeutics Inc. (CN) 2023-02-15 EP 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
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