SCHEMBL7783953

SCHEMBL7783953

CC(C)N(C(=O)Cl)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.42
PARP1 P09874 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL5262282 0.85 MTNR1A (0.44) ALDH1A1SMN1; SMN2LMNATP53PARP1
SCHEMBL7242474 0.81 LMNA (0.44) ALDH1A1SMN1; SMN2LMNATP53PARP1
SCHEMBL8025254 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNATP53PARP1
SCHEMBL7980047 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNATP53NPC1
SCHEMBL7703944 0.78 MTNR1A (0.40) ALDH1A1SMN1; SMN2LMNATP53PARP1
SCHEMBL4701126 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNATP53NPC1
SCHEMBL11541741 0.77 MTNR1A (0.43) ALDH1A1LMNAPARP1MTNR1AMTNR1B
SCHEMBL5263397 0.77 GLA (0.46) ALDH1A1SMN1; SMN2LMNATP53MTNR1A
SCHEMBL27577805 0.76 LOXL2 (0.45) ALDH1A1SMN1; SMN2LMNATP53HTR2C
SCHEMBL8600117 0.76 NPSR1 (0.49) ALDH1A1SMN1; SMN2TP53MEN1POLB

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
EP-1144392-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-17 EP disclosed
WO-2000040568-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-07-13 WO disclosed