SCHEMBL8920215

SCHEMBL8920215

COC(=O)CCCSc1c(O)c2ccccc2[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.63
ALDH1A1 P00352 9/20 0.60
MAPT P10636 2/20 0.60
HSD17B10 Q99714 5/20 0.50
HPGD P15428 3/20 0.50
POLB P06746 2/20 0.48
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NLRP3 Q96P20 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL8920782 0.85 KDM4E (0.73) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL8920754 0.84 ALDH1A1 (0.48) KDM4EALDH1A1EGFRMEN1KMT2A
SCHEMBL8923424 0.78 KDM4E (0.69) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL8921296 0.77 KDM4E (0.67) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL8923373 0.76 KDM4E (0.74) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL8922218 0.75 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL8923299 0.71 KDM4E (0.72) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL20510183 0.71 LMNA (0.71) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL8921828 0.70 ALDH1A1 (0.61) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL3542412 0.69 LMNA (0.72) KDM4EALDH1A1MAPTLMNAMEN1

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed