SCHEMBL11619441

SCHEMBL11619441

O=C(SSc1nc2ccccc2o1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 4/20 0.59
NPC1 O15118 4/20 0.59
HPGD P15428 3/20 0.59
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GFER P55789 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
ALPL P05186 1/20 0.46
ALPG P10696 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL11618844 0.81 ALDH1A1 (0.61) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL4188069 0.78 DDAH1 (0.59) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL69998 0.76 RAB9A (0.56) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL3176468 0.76 KMT2A (0.59) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL11561776 0.74 RAB9A (0.57) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL9305001 0.73 KMT2A (0.56) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL3500434 0.72 RAB9A (0.76) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL18758063 0.72 DDAH1 (0.57) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL18776132 0.72 DDAH1 (0.53) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL2488619 0.71 RAB9A (0.65) RAB9AKMT2AMEN1NPC1HPGD

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-4119780-A 2(Isopropyldithio)benzimidazole MONSANTO COMPANY (US) 1978-10-10 US disclosed
US-4006155-A Method for preparation of phosphorus polysulfides MONSANTO COMPANY (US) 1977-02-01 US disclosed