SCHEMBL7980047

SCHEMBL7980047

CC(C)N(C(=O)Cl)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.40
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
NPC1 O15118 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 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
SCHEMBL6762420 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL11925050 0.82 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNATP53ALOX5
SCHEMBL14672264 0.82 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2LMNATP53ALOX5
SCHEMBL7786923 0.82 TRPM8 (0.47) ALDH1A1SMN1; SMN2LMNATP53ALOX5
SCHEMBL6762131 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL4701126 0.80 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL7783953 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL7234480 0.78 ENPP2 (0.44) ALDH1A1SMN1; SMN2LMNATP53
SCHEMBL7241718 0.78 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL28448449 0.78 MEN1 (0.42) ALDH1A1SMN1; SMN2LMNATP53ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262275-B1 AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-07-17 US disclosed
US-6017853-A HERBICIDES; CHEMICAL INTERMEDIATES NIHON BAYER AGROCHEM K.K. (JP) 2000-01-25 US disclosed