SCHEMBL9842882

SCHEMBL9842882

CCCCCCn1cnc2c1c(=O)[nH]c(=O)n2C1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 2/20 0.60
ADORA2A P29274 5/20 0.59
PDE4A P27815 4/20 0.59
PDE4B Q07343 4/20 0.59
PDE4C Q08493 4/20 0.59
PDE4D Q08499 4/20 0.59
BRD4 O60885 1/20 0.53
BRD2 P25440 1/20 0.53
BRD3 Q15059 1/20 0.53
BRDT Q58F21 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CHRM1 P11229 1/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9842911 0.99 MEN1 (0.62) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL9842833 0.95 ALDH1A1 (0.67) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL7464187 0.90 PDE4A (0.65) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL9842637 0.85 MAPK1 (0.52) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL9842568 0.85 PDE4A (0.59) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL9842711 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL11400162 0.82 MEN1 (0.69) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL10394932 0.82 MEN1 (0.69) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL9842775 0.81 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL25286006 0.81 ALDH1A1 (0.71) MEN1KMT2AALDH1A1ADORA2APDE4A

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
EP-0430025-A2 Xanthine compound, method for preparing thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-06-05 EP disclosed