SCHEMBL7994556

SCHEMBL7994556

Cc1c(Cn2cnc3cncnc32)cccc1SCCc1ccccc1NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FDPS P14324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.35
TSHR P16473 4/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC29A1 Q99808 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 4/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 5/20 0.32
CYP2C9 P11712 5/20 0.32
CYP2C19 P33261 5/20 0.32
LMNA P02545 5/20 0.32
ALDH1A1 P00352 5/20 0.32
USP2 O75604 3/20 0.32
CYP3A4 P08684 3/20 0.32
MEN1 O00255 3/20 0.32

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
SCHEMBL7994486 0.87 HDAC6 (0.41) HDAC1HDAC6SMN1; SMN2LTA4HTSHR
SCHEMBL7997378 0.83 LMNA (0.41) HDAC1HDAC6FDPSSMN1; SMN2LTA4H
SCHEMBL7994551 0.81 HDAC1 (0.39) HDAC1HDAC6FDPSSMN1; SMN2LTA4H
SCHEMBL7998624 0.78 KMT2A (0.35) SMN1; SMN2KMT2ATHRBMAPTLMNA
SCHEMBL7984367 0.76 TP53 (0.38) SMN1; SMN2KMT2ATHRBLMNAALDH1A1
SCHEMBL7994393 0.75 ALDH1A1 (0.42) SMN1; SMN2KMT2AMAPTLMNAALDH1A1
SCHEMBL7984074 0.74 TDP1 (0.38) SMN1; SMN2KMT2AMAPTCYP1A2CYP2C9
SCHEMBL7997738 0.69 LMNA (0.41) HDAC1HDAC6SMN1; SMN2LTA4HTSHR
SCHEMBL7994472 0.68 HDAC1 (0.39) HDAC1HDAC6LTA4HKMT2AALDH1A1
SCHEMBL7997632 0.67 SMN1; SMN2 (0.44) SMN1; SMN2TSHRMAPTCYP2C9CYP2C19

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