SCHEMBL8926647

SCHEMBL8926647

C=CCn1c(O)cc(C)c(CS(=O)(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
KDM4E B2RXH2 7/20 0.43
MEN1 O00255 6/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 7/20 0.34
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 3/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RGS12 O14924 1/20 0.32
USP2 O75604 1/20 0.32
TNNI3 P19429 1/20 0.32
TNNT2 P45379 1/20 0.32
TNNC1 P63316 1/20 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
SCHEMBL4649769 0.82 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL9161398 0.80 KDM4E (0.40) KMT2AKDM4EMEN1HPGDMAPT
SCHEMBL9157985 0.80 MEN1 (0.40) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL8751482 0.79
SCHEMBL9160763 0.78 ALDH1A1 (0.41) KDM4EHPGDMAPTALDH1A1TDP1
SCHEMBL7891047 0.78 KDM4E (0.33) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL6559661 0.77 CYP1A2 (0.36) KMT2AKDM4EMEN1HPGDMAPT
SCHEMBL9162887 0.77 ALDH1A1 (0.43) KMT2AKDM4EHPGDMAPTALDH1A1
SCHEMBL9153890 0.76 TTR (0.32) KDM4EHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL14037168 0.75 KMT2A (0.48) KMT2AKDM4EMEN1HPGDSMN1; SMN2

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-5616695-A YELLOW DYES HAVING GOOD FASTNESS PROPERTIES CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed