SCHEMBL7224255

SCHEMBL7224255

CCC(C)(C)c1cccc(C)c1NC(=O)CCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 6/20 0.48
BLM P54132 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NLRP3 Q96P20 1/20 0.46
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
MC4R P32245 1/20 0.46
SCN4A P35499 1/20 0.46
MC3R P41968 1/20 0.46
HTR3A P46098 1/20 0.46

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
SCHEMBL7224186 0.89 SCN3A (0.47) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7219478 0.87 SMN1; SMN2 (0.46) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL30502814 0.87 NLRP3 (0.56) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL5941054 0.87 NLRP3 (0.56) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7224362 0.86 KMT2A (0.49) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7223622 0.83 ALDH1A1 (0.49) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL10348347 0.82 PARP1 (0.49) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7219434 0.82 NLRP3 (0.49) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7225491 0.82 SCN3A (0.46) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7223995 0.82 SMN1; SMN2 (0.46) SCN3AMAPTMEN1KMT2ASCN1A

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