SCHEMBL7983803

SCHEMBL7983803

O=C(O)/C=C/C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
HDAC3 O15379 1/20 0.33
TNKS O95271 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PIM2 Q9P1W9 1/20 0.32
TBXAS1 P24557 3/20 0.31

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
SCHEMBL7983807 1.00 HCAR2 (0.35) HCAR2RAB9ANPC1SMN1; SMN2P4HTM
SCHEMBL7983354 0.79
Hydrochloric Acid SCHEMBL7972990 0.78
SCHEMBL7986511 0.75 ALDH1A1 (0.43)
Hydrochloric Acid SCHEMBL7982947 0.74 SIGMAR1 (0.45) HDAC1HDAC8HDAC6
SCHEMBL7972030 0.74 HDAC1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7972027 0.74 HDAC1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13763779 0.70 APOBEC3A (0.40) RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7972091 0.69 IRAK4 (0.30)
Hydrochloric Acid SCHEMBL7972085 0.69 IRAK4 (0.30)

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed