SCHEMBL8952303

SCHEMBL8952303

C=CCCCCn1cnc2c(=O)[nH]c(=O)n(C)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PDE4A P27815 4/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ PDE4B Q07343 4/20 0.39
▸ PDE4C Q08493 4/20 0.39
▸ PDE4D Q08499 4/20 0.39
▸ ADORA1 P30542 1/20 0.38
▸ TK1 P04183 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ ADORA2B P29275 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36

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
SCHEMBL8952352 0.99 MAPK1 (0.40) MAPK1LMNAKDM4EPOLBMEN1
SCHEMBL8952234 0.99 MAPK1 (0.40) MAPK1LMNAKDM4EPOLBMEN1
SCHEMBL27483073 0.83 KMT2A (0.48) MAPK1LMNAKDM4EPOLBMEN1
SCHEMBL28151874 0.81 TK1 (0.50) MAPK1LMNAKDM4EPOLBMEN1
SCHEMBL11472384 0.81 MAPK1 (0.62) MAPK1LMNAKDM4EPOLBMEN1
SCHEMBL9120166 0.80 RXFP1 (0.49) MAPK1LMNAKDM4EPOLBMEN1
SCHEMBL8431107 0.80 MAPK1 (0.61) MAPK1LMNAKDM4EPOLBMEN1
SCHEMBL5093664 0.79 PNP (0.41) MAPK1LMNAKDM4EPOLBMEN1
SCHEMBL11462219 0.78 MAPK1 (0.62) MAPK1LMNAKDM4EPOLBMEN1
SCHEMBL8952652 0.78 TK1 (0.39) MAPK1LMNAKDM4EPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697873-A4 — — 1996-04-03 — — EP claimed
EP-0697873-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-02-28 — — EP claimed
WO-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 — — WO claimed
EP-0697873-A4 — — 1996-04-03 — — EP disclosed
EP-0697873-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-02-28 — — EP disclosed
WO-1995026722-A1 METHOD FOR INHIBITING MAST CELL AND BASOPHIL ACTIVATION CELL THERAPEUTICS, INC. (US) 1995-10-12 — — WO disclosed
WO-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 — — WO disclosed
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