SCHEMBL7217353

SCHEMBL7217353

Cc1ccc(C(C)(C)C)c(NC(=O)CBr)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
NLRP3 Q96P20 1/20 0.37
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
SCN3A Q9NY46 3/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MC4R P32245 1/20 0.36
SCN4A P35499 1/20 0.36
MC3R P41968 1/20 0.36
HTR3A P46098 1/20 0.36

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
SCHEMBL7218407 0.85 LMNA (0.40) HPGDTSHRRAB9ANLRP3LMNA
SCHEMBL7219589 0.84 NLRP3 (0.37) HPGDTSHRRAB9ANLRP3LMNA
SCHEMBL7219630 0.84 ALDH1A1 (0.53) HPGDRAB9ALMNAALDH1A1MAPT
SCHEMBL7219173 0.84 LMNA (0.35) HPGDTSHRRAB9ALMNAALDH1A1
SCHEMBL7223579 0.81 NLRP3 (0.56) NLRP3LMNAALDH1A1MAPTSCN3A
SCHEMBL7224403 0.80 NLRP3 (0.43) HPGDTSHRNLRP3LMNAALDH1A1
SCHEMBL7223730 0.77 ALOX15 (0.52) HPGDTSHRNLRP3LMNAALDH1A1
SCHEMBL7219357 0.75 KCNJ11 (0.56)
SCHEMBL7218234 0.74 L3MBTL1 (0.46) HPGDRAB9ANLRP3LMNAALDH1A1
SCHEMBL7225304 0.73 KMT2A (0.47) HPGDRAB9AALDH1A1MAPTMEN1

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