SCHEMBL28016453

SCHEMBL28016453

CCc1c[c]nn1-c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 5/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 4/20 0.33
NPC1 O15118 3/20 0.33
HSP90AA1 P07900 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NLRP1 Q9C000 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CACNA1B Q00975 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
SCHEMBL28017150 0.81 MAPT (0.34) ALDH1A1LMNANPSR1L3MBTL1TP53
SCHEMBL28016456 0.67 SRC (0.39) LMNATP53RAB9AMAPTHTT
SCHEMBL28016484 0.67 SMN1; SMN2 (0.38) ALDH1A1LMNANPSR1L3MBTL1TP53
SCHEMBL23403678 0.67 ALDH1A1 (0.41) ALDH1A1LMNANPSR1L3MBTL1TP53
SCHEMBL28016510 0.66 CACNA1H (0.41) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL28267811 0.64 ALDH1A1 (0.40) ALDH1A1LMNANPSR1L3MBTL1TP53
SCHEMBL17206057 0.64 POLB (0.44) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL4544365 0.62 SMN1; SMN2 (0.49) ALDH1A1LMNANPSR1L3MBTL1TP53
SCHEMBL12843990 0.62 ALDH1A1 (0.72) ALDH1A1LMNANPSR1L3MBTL1TP53
SCHEMBL13897152 0.62 SMN1; SMN2 (0.46) ALDH1A1LMNANPSR1L3MBTL1TP53

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
CN-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed