SCHEMBL9257744

SCHEMBL9257744

CC(C)c1nc(C(=O)NC2CC2)co1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
SMYD3 Q9H7B4 8/20 0.44
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
TLR9 Q9NR96 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TNKS O95271 1/20 0.39
CNR2 P34972 1/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
BRD4 O60885 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2307282 0.80 SMYD3 (0.45) NPC1RAB9ASMN1; SMN2TSHRSMYD3
SCHEMBL23193214 0.78 HDAC1 (0.44) NPC1RAB9ASMN1; SMN2TSHRHDAC1
SCHEMBL26987352 0.78 MLLT1 (0.43) NPC1RAB9ASMN1; SMN2TSHRSMYD3
SCHEMBL14845019 0.78 HDAC1 (0.44) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL2307275 0.76 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TSHRSMYD3
SCHEMBL19914289 0.76 SMYD3 (0.48) NPC1RAB9ASMN1; SMN2SMYD3TNKS
SCHEMBL12440555 0.76 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TSHRSMYD3
SCHEMBL3436851 0.76 RAB9A (0.43) NPC1RAB9ASMN1; SMN2HDAC1HDAC8
SCHEMBL23505914 0.76 SMYD3 (0.48) NPC1RAB9ASMN1; SMN2TSHRSMYD3
SCHEMBL9197574 0.75 FAAH (0.37) NPC1RAB9ASMN1; SMN2TSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378680-A Dicarboximides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5284821-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
US-5256633-A Applying pre or postemergence BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5244867-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 US disclosed
US-5176739-A Plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed