SCHEMBL6570784

SCHEMBL6570784

CN(C)Cc1ccc(/C=C/c2ncccc2C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.63
CTSB P07858 2/20 0.63
HDAC3 O15379 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PLK4 O00444 2/20 0.42
NAPRT Q6XQN6 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1333100 0.84 CAPN1 (0.56) CAPN1CTSBHDAC3HDAC6PLK4
SCHEMBL1333103 0.84 CAPN1 (0.56) CAPN1CTSBHDAC3HDAC6PLK4
SCHEMBL10414535 0.81 FGF23 (0.56) CAPN1CTSBNAPRTSMN1; SMN2TP53
SCHEMBL10414536 0.81 FGF23 (0.56) CAPN1CTSBNAPRTSMN1; SMN2TP53
SCHEMBL1905604 0.80 KDM4E (0.52) CAPN1CTSBNAPRTSMN1; SMN2KDM4E
SCHEMBL1905601 0.80 KDM4E (0.52) CAPN1CTSBNAPRTSMN1; SMN2KDM4E
SCHEMBL12550446 0.80 CAPN1 (0.61) CAPN1CTSBHDAC3HDAC6PLK4
SCHEMBL1335366 0.79 CAPN1 (0.75) CAPN1CTSB
SCHEMBL1335172 0.79 CAPN1 (0.56) CAPN1CTSBHDAC3HDAC6MMP13
SCHEMBL1335174 0.79 CAPN1 (0.56) CAPN1CTSBHDAC3HDAC6MMP13

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
EP-1073641-B1 NEW SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-04-14 EP disclosed