SCHEMBL8431107

SCHEMBL8431107

C=CCCCCCCCCCn1cnc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
PMP22 Q01453 1/20 0.54
PDE4A P27815 4/20 0.53
ADORA2A P29274 4/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 0.53
PDE4D Q08499 4/20 0.53
ADORA1 P30542 1/20 0.51
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47

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
SCHEMBL11472384 0.99 MAPK1 (0.62) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL11462219 0.96 MAPK1 (0.62) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL10346511 0.91 SMN1; SMN2 (0.60) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL11400162 0.85 MEN1 (0.69) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL10394932 0.85 MEN1 (0.69) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL11460096 0.85 MEN1 (0.65) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL10860941 0.84 MAPK1 (0.64) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL10856071 0.84 MAPK1 (0.64) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL25286006 0.84 ALDH1A1 (0.71) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL9010501 0.84 ADORA2B (0.62) MAPK1LMNAKDM4EPOLBSMN1; SMN2

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-5859017-A PREVENTING OR TREATING ALLERGIES; INHIBITING INTRACELLULAR GENERATION OF PHOSPHATIDIC ACID AND DIACYLGLYCEROL CELL THERAPEUTICS, INC. (US) 1999-01-12 US disclosed
WO-1995026722-A1 METHOD FOR INHIBITING MAST CELL AND BASOPHIL ACTIVATION CELL THERAPEUTICS, INC. (US) 1995-10-12 WO disclosed