SCHEMBL9199865

SCHEMBL9199865

Cc1ccsc1C(=O)Nc1cc(C(=O)O)c(Cl)c(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
ANO1 Q5XXA6 1/20 0.46
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NAMPT P43490 1/20 0.44
LMNA P02545 2/20 0.44
GRM1 Q13255 1/20 0.43
PPARG P37231 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 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
SCHEMBL9203707 0.80 DHODH (0.56) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL27310635 0.79 PKM (0.63) PKMANO1RAB9ANPC1SMN1; SMN2
SCHEMBL9198091 0.78 HTT (0.66) PKMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9204333 0.77 GRM1 (0.53) PKMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9204272 0.76 AKR1C3 (0.57) PKMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9205680 0.75 SMN1; SMN2 (0.53) PKMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9202966 0.74 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL9197115 0.74 GAA (0.37) RAB9ANPC1MAPTHPGDMEN1
SCHEMBL17660207 0.74 PKM (0.67) PKMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9199984 0.74 TDP1 (0.54) MAPTMEN1KMT2ALMNAPPARG

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
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed