SCHEMBL9466254

SCHEMBL9466254

CC(CO)(CO)NCc1cccc2c1ccc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
HPRT1 P00492 1/20 0.41
MAPK1 P28482 1/20 0.39
MC5R P33032 1/20 0.39
HPGD P15428 2/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
VNN1 O95497 1/20 0.37
ATM Q13315 1/20 0.37

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
Hydrochloric Acid SCHEMBL9465780 0.99 SLC2A1 (0.46) SLC2A1HPRT1MAPK1MC5RHPGD
SCHEMBL9466230 0.90 SLC2A1 (0.47) SLC2A1HPRT1HPGDMEN1KMT2A
Crisnatol SCHEMBL6257042 0.90 SLC2A1 (0.52) SLC2A1HPRT1HPGDKMT2AMAPT
Crisnatol SCHEMBL15990 0.90 SLC2A1 (0.52) SLC2A1HPRT1HPGDKMT2AMAPT
Crisnatol SCHEMBL10484286 0.89 SLC2A1 (0.51) SLC2A1HPRT1HPGDKMT2AMAPT
SCHEMBL10548243 0.85 SLC2A1 (0.47) SLC2A1MAPK1MC5RHPGDMEN1
SCHEMBL10545553 0.85 SLC2A1 (0.55) SLC2A1HPGDMEN1KMT2AMAPT
SCHEMBL9465872 0.85 SLC2A1 (0.56) SLC2A1HPGDCA2MEN1KMT2A
Hydrochloric Acid SCHEMBL10547602 0.84 SLC2A1 (0.46) SLC2A1MAPK1MC5RHPGDMEN1
Crisnatol SCHEMBL3883 0.84 SLC2A1 (0.61) SLC2A1HPRT1HPGDMAPT

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
US-5241107-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1993-08-31 US claimed
US-5241107-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1993-08-31 US disclosed