SCHEMBL8690403

SCHEMBL8690403

CC(C)N(C(=O)n1nnn(CCCl)c1=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MLYCD O95822 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HTR2C P28335 1/20 0.33
CCKAR P32238 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
SCHEMBL9620447 0.89 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL9620586 0.86 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL9620371 0.86 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL7968296 0.84 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL8546039 0.84 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL8346740 0.84 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL8550504 0.82 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL7977970 0.81 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL8550089 0.81 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL9620432 0.81 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2TP53CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8134046-A None JP disclosed
US-5747420-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-05 US disclosed
JP-H08134046-A TETRAZOLINONE DERIVATIVE AND HERBICIDE NIPPON BAYERAGROCHEM KK 1996-05-28 JP disclosed
EP-0711761-A1 Tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-05-15 EP disclosed