SCHEMBL7786923

SCHEMBL7786923

Cc1ccc(N(C(=O)Cl)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.47
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MAPT P10636 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
HPGD P15428 2/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
RAB9A P51151 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 0.84 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL7980047 0.82 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL6762131 0.82 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2TP53MEN1
SCHEMBL4701126 0.82 ALDH1A1 (0.65) TRPM8LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL2071627 0.82 TRPM8 (0.49) TRPM8LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL7234480 0.79 ENPP2 (0.44) LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL7241718 0.79 SMN1; SMN2 (0.53) TRPM8LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL7234452 0.78 ALDH1A1 (0.40) TRPM8LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL7242474 0.78 LMNA (0.44) TRPM8LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL7242450 0.78 HDAC8 (0.51) LMNAALDH1A1SMN1; SMN2TP53CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144392-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-17 EP disclosed
US-6262275-B1 AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-07-17 US disclosed
WO-2000040568-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-07-13 WO disclosed
EP-0712850-B1 Herbicidal novel 1-cyclopropyl tetrazolinones BAYER AGROCHEM KK (JP) 2000-04-05 EP disclosed
US-6017853-A HERBICIDES; CHEMICAL INTERMEDIATES NIHON BAYER AGROCHEM K.K. (JP) 2000-01-25 US disclosed
US-5668087-A Herbicidal 1-alkenyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-09-16 US disclosed
US-5650374-A PREEMERGENCE OR POSTEMERGENCE HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1997-07-22 US disclosed
EP-0733624-A1 Herbicidal 1-alkenyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-09-25 EP disclosed
EP-0712850-A1 Herbicidal novel 1-cyclopropyl tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-05-22 EP disclosed