SCHEMBL7219478

SCHEMBL7219478

Cc1cccc(C(C)(C)CC(C)(C)C)c1NC(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 7/20 0.44
LMNA P02545 5/20 0.44
SCN3A Q9NY46 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL7224255 0.87 SCN3A (0.49) SMN1; SMN2ALDH1A1LMNASCN3AMEN1
SCHEMBL5941054 0.85 NLRP3 (0.56) SMN1; SMN2ALDH1A1LMNASCN3AMEN1
SCHEMBL30502814 0.85 NLRP3 (0.56) SMN1; SMN2ALDH1A1LMNASCN3AMEN1
SCHEMBL7224186 0.85 SCN3A (0.47) SMN1; SMN2ALDH1A1LMNASCN3AMEN1
SCHEMBL10348347 0.81 PARP1 (0.49) SMN1; SMN2ALDH1A1LMNASCN3AMEN1
SCHEMBL7217828 0.81 MEN1 (0.47) SMN1; SMN2ALDH1A1LMNASCN3AMEN1
SCHEMBL7223995 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNASCN3AMEN1
SCHEMBL307790 0.80 MEN1 (0.62) SMN1; SMN2ALDH1A1LMNASCN3AMEN1
SCHEMBL7219434 0.78 NLRP3 (0.49) SMN1; SMN2ALDH1A1LMNASCN3AMEN1
SCHEMBL7219192 0.77 SCN3A (0.48) SMN1; SMN2ALDH1A1LMNASCN3AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed