SCHEMBL11092010

SCHEMBL11092010

C=CCn1c(=O)n2nc(C(=O)OCC)nc2c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
KDM4E B2RXH2 3/20 0.55
ADORA3 P0DMS8 8/20 0.54
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
ELANE P08246 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43

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
SCHEMBL11085127 0.88 ADORA3 (0.60) KDM4EADORA3ALDH1A1HPGDTSHR
SCHEMBL11081690 0.86 ADORA3 (0.60) LMNAKDM4EADORA3ALDH1A1HPGD
SCHEMBL11164594 0.84 KDM4E (0.49) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL11090098 0.84 ADORA3 (0.55) LMNAKDM4EADORA3ALDH1A1HPGD
SCHEMBL11088361 0.82 ADORA3 (0.56) LMNAKDM4EADORA3ALDH1A1HTT
SCHEMBL11087927 0.82 ADORA3 (0.67) KDM4EADORA3ALDH1A1TSHRHSD17B10
SCHEMBL10969977 0.76 LMNA (0.56) LMNAKDM4EALDH1A1HPGDTSHR
Melquinast SCHEMBL2109337 0.75 ADORA3 (0.56) KDM4EADORA3ALDH1A1HPGDTSHR
SCHEMBL11082599 0.73 ADORA3 (0.48) ADORA3
SCHEMBL11089751 0.72 PGR (0.48) LMNAKDM4EADORA3ALDH1A1HPGD

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
US-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed