SCHEMBL7219173

SCHEMBL7219173

CCCC(C)(C)c1ccc(C)c(C)c1NC(=O)CBr

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
SCN3A Q9NY46 3/20 0.35
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
MC4R P32245 1/20 0.35
SCN4A P35499 1/20 0.35
MC3R P41968 1/20 0.35
HTR3A P46098 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL7217184 0.86 ALDH1A1 (0.47) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7217353 0.84 HPGD (0.38) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7218460 0.84 KMT2A (0.47) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7223622 0.75 ALDH1A1 (0.49) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7224362 0.72 KMT2A (0.49) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7218407 0.70 LMNA (0.40) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7224186 0.70 SCN3A (0.47) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7219589 0.70 NLRP3 (0.37) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7219630 0.70 ALDH1A1 (0.53) LMNAALDH1A1KMT2AMAPTHPGD
SCHEMBL7223579 0.67 NLRP3 (0.56) LMNAALDH1A1MEN1KMT2AMAPT

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