SCHEMBL8644775

SCHEMBL8644775

CC(CCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C)OC(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 9/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HSD17B10 Q99714 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 4/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ GRK2 P25098 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL7594917 0.88 MAPT (0.44) SMN1; SMN2ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL10394898 0.83 L3MBTL1 (0.47) SMN1; SMN2ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL8651149 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPK1L3MBTL1HSD17B10
SCHEMBL5085693 0.81 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL4749492 0.81 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL1495136 0.81 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL8359328 0.81 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL8359323 0.81 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL8952589 0.80 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL8952567 0.80 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1MAPK1GAAL3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670506-A ANTIINFLAMMATORY AGENTS, FUNGICIDES, MICROBIOCIDES CELL THERAPEUTICS, INC. (US) 1997-09-23 — — US claimed
US-5807862-A Therapeutic compounds containing pyrimidinyl moieties CELL THERAPEUTICS, INC. (US) 1998-09-15 — — US disclosed
US-5670506-A ANTIINFLAMMATORY AGENTS, FUNGICIDES, MICROBIOCIDES CELL THERAPEUTICS, INC. (US) 1997-09-23 — — US disclosed
EP-0746557-A4 INTRACELLULAR SIGNALLING MEDIATORS CELL THERAPEUTICS INC (US) 1997-05-02 — — EP disclosed
EP-0746557-A1 INTRACELLULAR SIGNALLING MEDIATORS CELL THERAPEUTICS, INC. (US) 1996-12-11 — — EP disclosed
EP-0714302-A4 THERAPEUTIC COMPOUNDS CELL THERAPEUTICS INC (US) 1996-10-09 — — EP disclosed
EP-0714302-A1 THERAPEUTIC COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-06-05 — — EP disclosed
WO-1995022546-A1 INTRACELLULAR SIGNALLING MEDIATORS CELL THERAPEUTICS, INC. (US) 1995-08-24 — — WO disclosed
WO-1994022449-A1 THERAPEUTIC COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-10-13 — — WO disclosed
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