SCHEMBL9728995

SCHEMBL9728995

O=C(NCCCS(=O)(=O)O)c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CA2 P00918 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
NAAA Q02083 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 1/20 0.42
POLB P06746 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
SCHEMBL10332281 0.90 L3MBTL1 (0.43) MAPK1CA2L3MBTL1CA1
SCHEMBL2168052 0.83 HDAC1 (0.63) MAPK1NPC1RAB9AHDAC3HDAC4
SCHEMBL2169842 0.82 HDAC1 (0.61) MAPK1NPC1RAB9AHDAC3HDAC4
SCHEMBL6570646 0.82 HDAC1 (0.61) MAPK1NPC1RAB9AHDAC3HDAC4
SCHEMBL6572367 0.82 HDAC1 (0.61) MAPK1NPC1RAB9AHDAC3HDAC4
SCHEMBL4180665 0.80 NAAA (0.68) MAPK1CA2NPC1RAB9ANAAA
SCHEMBL4351637 0.80 POLB (0.54) MAPK1NPC1RAB9AHDAC3HDAC4
SCHEMBL4169513 0.79 NAAA (0.71) MAPK1CA2NPC1RAB9ANAAA
SCHEMBL13943496 0.79 SMN1; SMN2 (0.63) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL3101975 0.79 LOXL2 (0.43) RAB9AALDH1A1L3MBTL1POLB

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
US-5147770-A Entitled silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1992-09-15 US claimed
US-5147770-A Entitled silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1992-09-15 US disclosed