SCHEMBL27788909

SCHEMBL27788909

O=C(c1cccs1)c1ccccc1[AsH2]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
ALOX15 P16050 3/20 0.66
HPGDS O60760 1/20 0.56
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
DAO P14920 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.47
PSMD14 O00487 1/20 0.47
MMP2 P08253 1/20 0.47
HPGD P15428 4/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
POLB P06746 2/20 0.46
HDAC1 Q13547 1/20 0.46
CTNNB1 P35222 3/20 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
SCHEMBL9148337 0.86 LMNA (0.85) LMNAALOX15HPGDSCES2CES1
SCHEMBL10618289 0.79 ALOX15 (0.68) LMNAALOX15HPGDSCES2CES1
SCHEMBL3859942 0.79 ALOX15 (1.00) LMNAALOX15HPGDSCES2CES1
SCHEMBL11434037 0.78 LMNA (0.66) LMNAALOX15HPGDSCES2CES1
SCHEMBL9364002 0.78 ALOX15 (0.71) LMNAALOX15HPGDSCES2CES1
SCHEMBL10174797 0.78 CTNNB1 (0.66) LMNAALOX15HPGDSCES2CES1
SCHEMBL9821675 0.78 TP53 (0.66) LMNAALOX15HPGDSCES2CES1
SCHEMBL1424601 0.78 ALOX15 (0.66) LMNAALOX15HPGDSCES2CES1
SCHEMBL30421622 0.78 TP53 (0.66) LMNAALOX15HPGDSCES2CES1
SCHEMBL182010 0.77 CES2 (0.71) LMNAALOX15HPGDSCES2CES1

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
CN-101041648-B Inverse type-1,2-cyclopropane derivative and preparation method thereof UNIV SHANGHAI 2010-08-18 CN disclosed