SCHEMBL8376402

SCHEMBL8376402

C1=CON(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
CHRM2 P08172 1/20 0.43
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
MC4R P32245 1/20 0.37
CYP19A1 P11511 2/20 0.36
DRD4 P21917 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MIF P14174 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2B P41595 1/20 0.36
GSK3A P49840 1/20 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
SCHEMBL30799099 0.69 LMNA (0.42) SIGMAR1ALDH1A1TDP1F2PLG
SCHEMBL1639608 0.67 SIGMAR1 (0.65) SIGMAR1ALDH1A1TDP1MC4RDRD4
SCHEMBL29776265 0.64 SIGMAR1 (0.39) SIGMAR1ALDH1A1TDP1F2PLG
SCHEMBL6600803 0.64 F2 (0.52) SIGMAR1ALDH1A1TDP1F2PLG
SCHEMBL5694910 0.64 SIGMAR1 (0.48) SIGMAR1ALDH1A1TDP1MC4RCYP19A1
SCHEMBL18304983 0.64 SIGMAR1 (0.43) SIGMAR1CHRM2ALDH1A1TDP1F2
SCHEMBL251532 0.64 LMNA (0.35) SIGMAR1CHRM2LMNA
SCHEMBL2941482 0.63 SIGMAR1 (0.65) SIGMAR1ALDH1A1TDP1MC4RDRD4
SCHEMBL155000 0.63 SIGMAR1 (0.65) SIGMAR1ALDH1A1TDP1MC4RDRD4
SCHEMBL2489199 0.61 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB

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
EP-0796041-B1 NEW HERBICIDAL COMPOSITIONS RHONE POULENC AGROCHIMIE (FR) 1999-02-24 EP claimed