SCHEMBL6282045

SCHEMBL6282045

Cc1cc(C)c(-n2nnnc2SCC(=O)O)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 2/20 0.58
LMNA P02545 2/20 0.53
ALDH1A1 P00352 8/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
ALPL P05186 1/20 0.46
ALPG P10696 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 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
SCHEMBL1611509 0.86 ALDH1A1 (0.69) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14605919 0.85 MEN1 (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1493449 0.84 POLB (0.68) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL1702875 0.83 TDP1 (0.69) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL1611721 0.83 LMNA (0.76) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL1493311 0.80 ALDH1A1 (0.76) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL1610173 0.79 POLB (0.76) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL1611340 0.78 POLB (0.59) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL1612844 0.77 POLB (0.73) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL1493487 0.77 ALDH1A1 (0.79) MEN1KMT2AMAPTPOLBLMNA

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-2005115147-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2005-12-08 WO disclosed