SCHEMBL6923968

SCHEMBL6923968

Cc1cccc(C)c1NC(=O)CCN

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
NFKB1 P19838 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
SCN3A Q9NY46 3/20 0.57

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
SCHEMBL15810988 0.88 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11425285 0.88 POLB (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
Glycinexylidide SCHEMBL4107220 0.86 LMNA (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11450076 0.85 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7227453 0.85 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6916194 0.84 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2990484 0.83 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6924499 0.83 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11440530 0.83 LMNA (0.71) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7822207 0.83 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4237068-A Primary aminoacylanilides ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-12-02 US claimed
US-4218477-A LONG LASTING ORAL AGENTS ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-08-19 US claimed
EP-1140803-B1 ((AMINOIMINOMETHYL) AMINO) ALKANECARBOXAMIDES AND THEIR APPLICATIONS IN THERAPY MERCK PATENT GMBH (DE) 2003-10-22 EP disclosed
US-6518458-B1 ((aminoiminomethyl)amino)alkane-carboxamide type in the treatment of pathologies associated with insulin resistance syndrome. MERCK PATENT GMBH (DE) 2003-02-11 US disclosed
EP-1140803-A1 ((AMINOIMINOMETHYL) AMINO) ALKANECARBOXAMIDES AND THEIR APPLICATIONS IN THERAPY MERCK PATENT GmbH (DE) 2001-10-10 EP disclosed
WO-2000042001-A1 ((AMINOIMINOMETHYL) AMINO) ALKANECARBOXAMIDES AND THEIR APPLICATIONS IN THERAPY MERCK PATENT GMBH (DE) 2000-07-20 WO disclosed
US-4237068-A Primary aminoacylanilides ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-12-02 US disclosed
US-4218477-A LONG LASTING ORAL AGENTS ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-08-19 US disclosed