SCHEMBL7432121

SCHEMBL7432121

CC(Cl)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.40
IP6K1 Q92551 1/20 0.40
TP53 P04637 2/20 0.39

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
SCHEMBL7431877 0.84 KDM4E (0.39) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL3935379 0.81 IP6K1 (0.52) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL31348132 0.81 IP6K1 (0.52) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL17231387 0.81 MEN1 (0.47) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL7436090 0.80 PDE5A (0.38) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4884359 0.79 CBX7 (0.46) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL3931904 0.77 CASP3 (0.54) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL9206539 0.75 MEN1 (0.45) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL15341796 0.73 OPRM1 (0.48) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL10381827 0.72 PKM (0.51) MEN1KMT2AMAPTPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933336-A Thiadiazinone, oxadiazinone and triazinone derivatives, and their use for treating acute or chronic heart disease LABORATOIRES SOBIO S.A. (FR) 1990-06-12 US disclosed
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP disclosed