SCHEMBL8201651

SCHEMBL8201651

Cc1c(C)c2c(c(C)c1N)C(=O)CC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
CYP3A4 P08684 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
FFAR1 O14842 7/20 0.46
PPARA Q07869 2/20 0.44
PPARG P37231 10/20 0.43
HRH3 Q9Y5N1 1/20 0.43
RXRA P19793 1/20 0.41
MPC2 O95563 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2C9 P11712 2/20 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
SCHEMBL8459669 0.90 MEN1 (0.53) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL10640678 0.86 CYP3A4 (0.49) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL9632700 0.86 CYP3A4 (0.49) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL19242621 0.84 MAPT (0.55) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL10642092 0.84 CYP3A4 (0.50) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL10640410 0.84 CYP3A4 (0.50) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL9631948 0.84 CYP3A4 (0.47) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL8205210 0.83 MAPT (0.52) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL10638804 0.83 MEN1 (0.44) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL10636160 0.82 CYP3A4 (0.52) MAPTCYP3A4MEN1ALDH1A1TP53

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
JP-2000273041-A INHIBITOR OF NEUROCYTE APOPTOSIS WITH GLUTAMIC ACID CYTOTOXICITY SANKYO CO LTD 2000-10-03 JP disclosed