SCHEMBL8357735

SCHEMBL8357735

CC(C)CC(C)c1sccc1NC(=O)c1cccnc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 7/20 0.44
MDM4 O15151 1/20 0.44
MITF O75030 1/20 0.44
MDM2 Q00987 1/20 0.44
ATM Q13315 1/20 0.44
GPR35 Q9HC97 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5078613 0.84 HPGD (0.50) NPC1SMN1; SMN2HPGDTDP1ALDH1A1
SCHEMBL8444052 0.80 F2R (0.45) NPC1SMN1; SMN2HTTHPGDGAA
SCHEMBL13292672 0.77 PRNP (0.36) NPC1SMN1; SMN2HTTHPGDGAA
SCHEMBL13304624 0.76 SMN1; SMN2 (0.48) NPC1SMN1; SMN2HTTHPGDGAA
SCHEMBL5634500 0.76 L3MBTL1 (0.52) NPC1SMN1; SMN2HTTHPGDGAA
SCHEMBL4399333 0.74 NPC1 (0.56) NPC1SMN1; SMN2HTTHPGDGAA
SCHEMBL442079 0.74 ATM (0.51) NPC1SMN1; SMN2GAAALDH1A1ATM
SCHEMBL13851050 0.73 ATM (0.37) NPC1HTTGAAALDH1A1ATM
SCHEMBL17999737 0.73 ALDH1A1 (0.35) NPC1SMN1; SMN2HTTHPGDGAA
SCHEMBL12798649 0.73 CYP1A2 (0.48) NPC1SMN1; SMN2HPGDTDP1ALDH1A1

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-11228309-A None JP disclosed
JP-H11228309-A PLANT DISEASE-PREVENTING AGENT COMPOSITION MITSUI CHEM INC 1999-08-24 JP disclosed
US-5869427-A Substituted thiophene derivative and plant disease control agent comprising the same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-02-09 US disclosed
EP-0841336-A1 Substituted thiopene derivative and plant disease control agent comprising the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-05-13 EP disclosed