SCHEMBL9736649

SCHEMBL9736649

CCOC(=O)c1nn(-c2ccccc2)c2c1CSc1ccc(COCOCCOC)cc1-2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9522531 0.91 MAPT (0.43) TP53MAPTLMNAL3MBTL1
SCHEMBL9523022 0.89 MAPT (0.42) TP53MAPTLMNAL3MBTL1
SCHEMBL9525320 0.85 ALDH1A1 (0.47) TP53MAPTLMNAALDH1A1KDM4E
SCHEMBL14730 0.82 CCNA2 (0.53) TP53MAPTALDH1A1KDM4EHPGD
SCHEMBL9523795 0.81 ALDH1A1 (0.50) TP53MAPTALDH1A1KDM4EHPGD
SCHEMBL12276272 0.81 ALDH1A1 (0.48) TP53MAPTLMNAALDH1A1KDM4E
SCHEMBL7795 0.81 ALDH1A1 (0.55) TP53MAPTALDH1A1KDM4EHPGD
SCHEMBL6648 0.81 ALDH1A1 (0.53) TP53MAPTALDH1A1KDM4EHPGD
SCHEMBL9526026 0.80 ALDH1A1 (0.48) TP53MAPTALDH1A1KDM4EHPGD
SCHEMBL18082705 0.78 ALDH1A1 (0.48) TP53MAPTALDH1A1KDM4EHPGD

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
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US disclosed