SCHEMBL6935543

SCHEMBL6935543

NNC(=O)c1ccccc1SC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
CA2 P00918 6/20 0.46
CA1 P00915 5/20 0.45
CA9 Q16790 5/20 0.45
CA12 O43570 4/20 0.45
CA4 P22748 4/20 0.45
CA6 P23280 4/20 0.45
CA5A P35218 4/20 0.45
CA7 P43166 4/20 0.45
CA13 Q8N1Q1 4/20 0.45
CA14 Q9ULX7 4/20 0.45
CA5B Q9Y2D0 4/20 0.45
CA3 P07451 3/20 0.45
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL1147613 0.81 ALDH1A1 (0.56) MAPTCA2CA1CA9CA12
SCHEMBL6940601 0.79 ALDH1A1 (0.51) HPGDGAAMAPTALDH1A1RAB9A
SCHEMBL19617767 0.79 POLB (0.55) HPGDGAAMAPTCA2CA1
SCHEMBL2538350 0.78 SIRT1 (0.50) HPGDGAAMAPTCA2CA1
SCHEMBL1018224 0.77 ALDH1A1 (0.51) HPGDGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL27950380 0.76 NPSR1 (0.41) HPGDGAAMAPTCA2CA1
SCHEMBL2543828 0.76 POLB (0.55) MAPTCA2CA1CA9CA12
SCHEMBL20495594 0.74 MAOA (0.44) HPGDGAAMAPTCA2CA1
SCHEMBL30548748 0.74 MAOA (0.44) HPGDGAAMAPTCA2CA1
SCHEMBL2543692 0.74 HSD17B10 (0.51) HPGDGAAMAPTALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP claimed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO claimed