SCHEMBL11419554

SCHEMBL11419554

Cc1cccc(C)c1NC(=O)CC#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 3/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
NFKB1 P19838 1/20 0.57
LMNA P02545 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
SCN3A Q9NY46 3/20 0.54
SCN1A P35498 2/20 0.54
SCN2A Q99250 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL24553611 0.89 MEN1 (0.46) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL30829396 0.89 MEN1 (0.46) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1148045 0.84 KCNMA1 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL21973097 0.83 GAA (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11141843 0.82 LMNA (0.59) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL8625807 0.81 ALDH1A1 (0.63) LMNAALDH1A1MAPTHDAC3HDAC4
SCHEMBL11551559 0.79 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL11202923 0.79 KMT2A (0.49) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL28378376 0.78 BDKRB1 (0.53) HSD17B10HTT
SCHEMBL5892506 0.77 KMT2A (0.65) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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-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