SCHEMBL7994486

SCHEMBL7994486

Cc1c(Cn2cnc3ncncc32)cccc1SCCc1ccccc1NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 3/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 4/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SLC29A1 Q99808 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGER3 P43115 1/20 0.31
TP53 P04637 1/20 0.30
GUSB P08236 1/20 0.30

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
SCHEMBL7994556 0.87 HDAC1 (0.41) HDAC6HDAC1SMN1; SMN2LTA4HHSD17B10
SCHEMBL7997738 0.82 LMNA (0.41) HDAC6HDAC1SMN1; SMN2LTA4HHSD17B10
SCHEMBL7994472 0.81 HDAC1 (0.39) HDAC6HDAC1LTA4HKMT2AALDH1A1
SCHEMBL7998624 0.75 KMT2A (0.35) SMN1; SMN2KMT2ATHRBMAPTLMNA
SCHEMBL7984367 0.75 TP53 (0.38) SMN1; SMN2KMT2ATHRBLMNAALDH1A1
SCHEMBL7994393 0.74 ALDH1A1 (0.42) SMN1; SMN2KMT2AMAPTLMNAALDH1A1
SCHEMBL7984074 0.73 TDP1 (0.38) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL7994551 0.70 HDAC1 (0.39) HDAC6HDAC1SMN1; SMN2LTA4HHSD17B10
SCHEMBL7997378 0.70 LMNA (0.41) HDAC6HDAC1SMN1; SMN2LTA4HHSD17B10
SCHEMBL7997632 0.66 SMN1; SMN2 (0.44) SMN1; SMN2TSHRMAPTLMNAALDH1A1

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-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO claimed