SCHEMBL1490862

SCHEMBL1490862

CC[C](NS(C)(=O)=O)c1cncc(CO)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CYP2A6 P11509 1/20 0.33
PTGS2 P35354 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
EGFR P00533 3/20 0.32
ATM Q13315 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PTGS1 P23219 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
S1PR1 P21453 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1491015 0.73 HDAC1 (0.47) PTGS2EGFRPTGS1HCAR2MAPT
SCHEMBL28089087 0.68 KDM4E (0.42) KDM4ECYP2A6EGFRHCAR2MAPT
SCHEMBL2008389 0.68 ATM (0.66) KDM4ESMYD3CYP2A6ATMCYP11B1
SCHEMBL17161760 0.67 PTGS2 (0.39) CYP2A6PTGS2CYP11B1CYP11B2
SCHEMBL21621638 0.67 CYP2A6 (0.36) DYRK1ACYP2A6ATMCYP11B1CYP11B2
SCHEMBL7817677 0.67 HCAR2 (0.59) DYRK1AKDM4ECYP2A6CYP11B1CYP11B2
SCHEMBL30777432 0.67 HCAR2 (0.59) DYRK1AKDM4ECYP2A6CYP11B1CYP11B2
SCHEMBL19556182 0.66 CYP2C19 (0.66) ATMMAPTHTTSMN1; SMN2
SCHEMBL18340498 0.65 CYP11B2 (0.49) KDM4ECYP11B1CYP11B2HCAR2
SCHEMBL23021760 0.65 SMN1; SMN2 (0.41) DYRK1AKDM4ECYP2A6ATMCYP11B1

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-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed