SCHEMBL6416634

SCHEMBL6416634

CS(=O)(=O)Oc1ccc(Br)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL11779341 0.84 ALDH1A1 (0.58) ALDH1A1HSD17B10KMT2AMEN1CA2
SCHEMBL227238 0.79 SMN1; SMN2 (0.59) ALDH1A1HSD17B10LCKFYNKMT2A
SCHEMBL8700100 0.77 TSHR (0.50) ALDH1A1CA12CA1CA2CA3
SCHEMBL4649906 0.76 ALDH1A1 (0.71) ALDH1A1HSD17B10LCKFYNKMT2A
SCHEMBL20430157 0.75 HSD17B10 (0.45) ALDH1A1HSD17B10LCKFYNKMT2A
SCHEMBL6409631 0.75 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL26343209 0.75 DTYMK (0.51) ALDH1A1KMT2AMEN1TDP1TSHR
SCHEMBL4649128 0.75 TSHR (0.60) ALDH1A1HSD17B10KMT2AMEN1PKM
SCHEMBL7084281 0.74 SMN1; SMN2 (0.54) ALDH1A1HSD17B10KMT2AMEN1PTPN1
SCHEMBL17202484 0.74 LMNA (0.64) ALDH1A1HSD17B10LCKFYNKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed