SCHEMBL20780757

SCHEMBL20780757

CSSCCc1cccc2nsnc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 6/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
CASP1 P29466 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12844407 0.78 MAPT (0.48) HSD17B10MAPTKDM4EHIF1AALDH1A1
SCHEMBL14944881 0.76 KDM4E (0.55) HSD17B10MAPTKDM4EHIF1AALDH1A1
SCHEMBL762893 0.74 KMT2A (0.56) HSD17B10MAPTKDM4EHIF1AALDH1A1
SCHEMBL28957583 0.74 MEN1 (0.47) HSD17B10MAPTKDM4EHIF1AALDH1A1
SCHEMBL25399698 0.71 MAPT (0.57) HSD17B10MAPTKDM4EHIF1AALDH1A1
SCHEMBL2805013 0.71 KDM4E (0.52) HSD17B10MAPTKDM4EHIF1AALDH1A1
SCHEMBL7718402 0.71 KDM4E (0.52) HSD17B10MAPTKDM4EHIF1AALDH1A1
SCHEMBL4678156 0.71 KDM4E (0.52) HSD17B10MAPTKDM4EHIF1AALDH1A1
SCHEMBL20744401 0.70 KDM4E (0.47) HSD17B10MAPTKDM4EHIF1AALDH1A1
SCHEMBL12775851 0.70 KDM4E (0.47) HSD17B10MAPTKDM4EHIF1AALDH1A1

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-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed