SCHEMBL7218407

SCHEMBL7218407

Cc1c(Cl)ccc(C(C)(C)C)c1NC(=O)CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 3/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
P2RX7 Q99572 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
TP53 P04637 1/20 0.33
NLRP3 Q96P20 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7217353 0.85 HPGD (0.38) LMNAALDH1A1L3MBTL1POLBRAB9A
SCHEMBL7218234 0.81 L3MBTL1 (0.46) LMNAALDH1A1L3MBTL1POLBRAB9A
SCHEMBL7224403 0.78 NLRP3 (0.43) LMNAALDH1A1L3MBTL1POLBTSHR
SCHEMBL7223579 0.76 NLRP3 (0.56) LMNAALDH1A1POLBMAPTMAPK1
SCHEMBL7224806 0.75 ALDH1A1 (0.49) LMNAALDH1A1RAB9AMAPTTP53
SCHEMBL7219630 0.73 ALDH1A1 (0.53) LMNAALDH1A1RAB9AHPGDNPC1
SCHEMBL7219357 0.72 KCNJ11 (0.56)
SCHEMBL7223730 0.72 ALOX15 (0.52) LMNAALDH1A1L3MBTL1POLBTSHR
SCHEMBL7223759 0.72 ALDH1A1 (0.49) LMNAALDH1A1RAB9AHPGDNPC1
SCHEMBL7225304 0.71 KMT2A (0.47) ALDH1A1RAB9AHPGDNPC1MAPT

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