SCHEMBL7461547

SCHEMBL7461547

CC(C)(C)OC(=O)Nc1ccsc1C(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.47
NPC1 O15118 1/20 0.38
CA1 P00915 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PSMB8 P28062 1/20 0.36
NAMPT P43490 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP17A1 P05093 1/20 0.35
ATR Q13535 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
CA2 P00918 1/20 0.35
LCK P06239 1/20 0.34

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
SCHEMBL7458999 0.82 METAP1 (0.41) METAP1
SCHEMBL9291119 0.82 METAP1 (0.50) METAP1NPC1CA1CA12CA9
SCHEMBL14510093 0.81 METAP1 (0.49) METAP1NPC1CA1CA12CA9
SCHEMBL437283 0.79 METAP1 (0.48) METAP1NPC1CA1CA12CA9
SCHEMBL11564693 0.79 METAP1 (0.48) METAP1NPC1CA1CA12CA9
SCHEMBL395773 0.79 METAP1 (0.48) METAP1NPC1CA1CA12CA9
SCHEMBL7457637 0.78 NPSR1 (0.50) METAP1NPC1RXFP1LMNA
SCHEMBL429230 0.78 PTPN2 (0.57) METAP1NPC1RXFP1LMNA
SCHEMBL2106155 0.77 NPC1 (0.66) NPC1LMNAPOLB
SCHEMBL1680515 0.77 METAP1 (0.46) METAP1NPC1CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737682-B1 Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI CHEMICALS INC (JP) 2002-01-09 EP 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
US-5747518-A EFFECTIVE AGAINST CHEMICAL RESISTANT FUNGI; NONPHYTOTOXIC TO CROPS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-05 US disclosed
EP-0737682-A1 Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-10-16 EP disclosed