SCHEMBL11080384

SCHEMBL11080384

CCOC(=O)c1nc2c3cc4c(cc3n(CC)c(=O)n2n1)OCO4

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.44
ELANE P08246 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
MAPT P10636 1/20 0.41
ADORA2A P29274 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL11086256 0.89 ADORA3 (0.49) ADORA3ELANEKDM4EALDH1A1LMNA
SCHEMBL11082599 0.85 ADORA3 (0.48) ADORA3ADORA2A
Melquinast SCHEMBL2109337 0.83 ADORA3 (0.56) ADORA3ELANEKDM4EALDH1A1TSHR
SCHEMBL11077725 0.82 ADORA3 (0.40) ADORA3ELANEKDM4EALDH1A1LMNA
SCHEMBL11085127 0.78 ADORA3 (0.60) ADORA3ELANEKDM4EALDH1A1TSHR
SCHEMBL11086548 0.78 ADORA3 (0.49) ADORA3KDM4EALDH1A1MAPT
SCHEMBL11088377 0.77 ADORA3 (0.49) ADORA3ADORA2A
SCHEMBL11172028 0.73 CTSL (0.40) ELANEKDM4EALDH1A1LMNATSHR
SCHEMBL11087008 0.73 ADORA3 (0.57) ADORA3ELANELMNAADORA2A
SCHEMBL11089403 0.73 ADORA3 (0.55) ADORA3ADORA2A

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