SCHEMBL6940650

SCHEMBL6940650

CC(C)(C)CSc1ccccc1C(=O)NN

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
P2RX7 Q99572 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL6942406 0.81 HPGD (0.57) CTSDKMT2AL3MBTL1HPGDHSD17B10
SCHEMBL6939482 0.79 KMT2A (0.50) CTSDKMT2AL3MBTL1HPGDHSD17B10
SCHEMBL11427578 0.79 CYP1A2 (0.45) CA1CA2CA9KMT2AL3MBTL1
SCHEMBL6939026 0.78 KMT2A (0.63) KMT2AL3MBTL1HPGDHSD17B10ALDH1A1
SCHEMBL6935895 0.77 CTSD (0.46) CTSDCA1CA2CA9KMT2A
SCHEMBL6564706 0.76 PTGS2 (0.54) CTSDKMT2AL3MBTL1HPGDHSD17B10
SCHEMBL6937373 0.75 KMT2A (0.70) CA2KMT2AL3MBTL1POLBALDH1A1
SCHEMBL6564711 0.74 PTGS2 (0.55) KMT2AL3MBTL1HPGDHSD17B10POLB
SCHEMBL6939214 0.73 CTSD (0.49) CTSDCA1CA2CA9KMT2A
SCHEMBL6934863 0.73 LMNA (0.46) CTSDKMT2AL3MBTL1HPGDHSD17B10

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