SCHEMBL11538730

SCHEMBL11538730

CCS[C@@H]1CC(=O)N1NC(C)=O.c1cc2cc-2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
FFAR4 Q5NUL3 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KLK7 P49862 1/20 0.31

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
SCHEMBL11542905 0.88 ALDH1A1 (0.32) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL10545169 0.87 MEN1 (0.31) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10540518 0.87 MEN1 (0.31) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL11473393 0.85 KMT2A (0.33) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL11540074 0.83 MAPT (0.36) SMN1; SMN2MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL10544967 0.83 KDM4E (0.32) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10890403 0.81 BRD4 (0.36) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL10884861 0.79 ALDH1A1 (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8015627 0.78 PIP5K1C (0.41) ALDH1A1KDM4EHSD17B10
SCHEMBL8019417 0.78 KDM4E (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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-4174318-A USING A TRIALKYL- OR TRIALKYLAMINOPHOSPHINE AS REDUCING AGENT GLAXO LABORATORIES LTD. (GB) 1979-11-13 US disclosed