SCHEMBL9686368

SCHEMBL9686368

CC(C)(CO)c1ccc(Cl)nn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1000276 0.77 ALDH1A1 (0.40) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL3177257 0.76 ALDH1A1 (0.38) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL30549680 0.76 ALDH1A1 (0.38) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL15375598 0.72 ALDH1A1 (0.40) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL19185845 0.72 LMNA (0.36) LMNAKMT2AALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL31404963 0.71 ALDH1A1 (0.39) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL5954700 0.71 LMNA (0.42) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL9686817 0.71 HTT (0.39) LMNAKMT2AALDH1A1MAPT
Lithium Ion SCHEMBL1550804 0.69 LMNA (0.41) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL1550807 0.69 LMNA (0.41) LMNAKMT2AALDH1A1GAAMAPT

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
CN-1091425-A Heterocyclic neophenan analogs, process for their preparation and their use as pesticides HOECHST AG (DE) 1994-08-31 CN disclosed
EP-0288810-B1 HETEROCYCLIC NEOPHANE ANALOGS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed
US-4966902-A INSECTICIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
EP-0288810-A1 Heterocyclic neophane analogs, processes for their preparation and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 EP disclosed