SCHEMBL7975244

SCHEMBL7975244

Cc1ccc(SCC(C)N)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.68
MAOB P27338 5/20 0.67
SLC6A4 P31645 4/20 0.46
CA7 P43166 1/20 0.44
HPGD P15428 3/20 0.42
USP2 O75604 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL15855667 0.82 HPGD (0.49) MAOAMAOBHPGDUSP2NPC1
SCHEMBL18472987 0.82 ALDH1A1 (0.48) MAOAMAOBHPGDUSP2NPC1
SCHEMBL11260151 0.81 MAOA (0.66) MAOAMAOBSLC6A4HPGDNPC1
SCHEMBL30312969 0.81 MAOA (0.66) MAOAMAOBSLC6A4SLC6A2SLC6A3
SCHEMBL11162282 0.81 MAOA (0.66) MAOAMAOBSLC6A4HPGDNPC1
SCHEMBL8909149 0.80 MAOA (1.00) MAOAMAOBSLC6A4SLC6A2SLC6A3
SCHEMBL4099623 0.80 MAOA (1.00) MAOAMAOBSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL8909768 0.78 MAOA (0.96) MAOAMAOBSLC6A4SLC6A2SLC6A3
SCHEMBL9325875 0.78 MAOA (0.55) MAOAMAOBSLC6A4CA7SLC6A2
SCHEMBL4720208 0.78 HPGD (0.46) MAOAMAOBCA7HPGDUSP2

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
WO-2001064644-A1 DICHLOROPYRIDYL- AND DICHLOROISOTHIAZOLYL-THIOCARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-07 WO disclosed