SCHEMBL1442048

SCHEMBL1442048

O=S(=O)(O)CCCCc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.49
▸ GLS O94925 1/20 0.47
▸ HDAC3 O15379 2/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MET P08581 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41

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
SCHEMBL3158800 0.80 DAO (0.51) DAOGLSHDAC3CNR1CNR2
SCHEMBL27947601 0.80 CYP1A2 (0.57) DAOGLSHDAC3NPC1POLB
SCHEMBL21171893 0.80 TRPV1 (0.46) HDAC3RAB9AHDAC6
SCHEMBL21171904 0.79 HDAC1 (0.56) HDAC3
SCHEMBL4195374 0.79 ALDH1A1 (0.50) DAOCNR1CNR2NPC1POLB
SCHEMBL5535997 0.79 DAO (0.50) DAOGLSHDAC3CNR1CNR2
SCHEMBL3711594 0.79 DAO (0.50) DAOGLSHDAC3CNR1CNR2
SCHEMBL4020874 0.79 DAO (0.56) DAOGLSHDAC3CNR1CNR2
SCHEMBL934234 0.78 HDAC3 (0.50) DAOGLSHDAC3NPC1POLB
SCHEMBL12251092 0.78 L3MBTL1 (0.47) DAOGLSHDAC3CNR1CNR2

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
WO-2011026085-A2 REACTIVE CYANINE COMPOUNDS PROMEGA CORPORATION (US) 2011-03-03 — — WO disclosed
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