SCHEMBL9739248

SCHEMBL9739248

O=C1NCCc2cc3c(cc21)COO3

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
PARP10 Q53GL7 13/20 0.45
PARP11 Q9NR21 9/20 0.45
PARP1 P09874 6/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
PDPK1 O15530 1/20 0.42
GRM5 P41594 5/20 0.39

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
SCHEMBL8856567 0.76 DRD2 (0.39) KDM4E
Noroxyhydrastinine SCHEMBL564339 0.75 KDM4E (1.00) KDM4EPARP10PARP11PARP1F7
Noroxyhydrastinine SCHEMBL29745981 0.75 KDM4E (1.00) KDM4EPARP10PARP11PARP1F7
SCHEMBL9214155 0.68 PARP10 (0.62) KDM4EPARP10PARP11PARP1F7
SCHEMBL15466514 0.68 PARP10 (0.62) KDM4EPARP10PARP11PARP1F7
SCHEMBL24136646 0.68 KDM4E (0.56) KDM4EPARP10PARP11PARP1F7
SCHEMBL793729 0.68 PARP10 (0.62) KDM4EPARP10PARP11PARP1F7
SCHEMBL29600821 0.68 KDM4E (0.56) KDM4EPARP10PARP11PARP1F7
SCHEMBL11331651 0.68 ALOX15 (0.34)
SCHEMBL4715588 0.65 PARP10 (0.53) KDM4EPARP10PARP11PARP1F7

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed