SCHEMBL8952375

SCHEMBL8952375

CCCCCCCC=CN1CN(C)c2c1n(C)c(=O)[nH]c2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 1/20 0.40
▸ MAPK10 P53779 1/20 0.39
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MGLL Q99685 3/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ XBP1 P17861 2/20 0.34
▸ FAAH O00519 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL8803670 0.83 TK1 (0.43) TK1MAPK10MEN1KMT2AMGLL
SCHEMBL5085666 0.77 MAPK10 (0.44) MAPK10MEN1KMT2AMAPK1TSHR
SCHEMBL8952262 0.71 MAPK1 (0.34) MAPK1HPGDALDH1A1HSD17B10
SCHEMBL8687559 0.71 MAPK10 (0.36) MAPK10MEN1KMT2AMAPK1TSHR
SCHEMBL6421931 0.70 KDM1A (0.39) MAPK10MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8952197 0.70 HSD17B10 (0.34) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL8952275 0.70 HSD17B10 (0.34) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL8952345 0.70 HSD17B10 (0.34) MAPK10MEN1KMT2AMAPK1HTT
SCHEMBL6948264 0.68 EPHX2 (0.37) MAPK10HTTSMN1; SMN2HPGDLMNA
SCHEMBL8803812 0.68 HSD17B10 (0.34) MAPK10MEN1KMT2AMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 — — WO disclosed
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