SCHEMBL26333089

SCHEMBL26333089

C=C(O)C(Cc1c(C)n(C)c2cc(N3CCOCC3)cc(N)c12)NC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.31
KDM4E B2RXH2 1/20 0.30
BRD4 O60885 1/20 0.30
LGMN Q99538 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
SCHEMBL20120047 0.81 PTGS2 (0.36) IKBKBKDM4EBRD4LGMN
SCHEMBL19872670 0.67 LRRK2 (0.39) KDM4E
SCHEMBL18000151 0.67 MAPT (0.41) KDM4E
SCHEMBL18509763 0.67 MAPT (0.41) KDM4E
SCHEMBL18498554 0.67 MAPT (0.44) KDM4E
SCHEMBL18029390 0.63 PTGS2 (0.41) KDM4ELGMN
SCHEMBL31675773 0.61 MAPT (0.43) KDM4E
SCHEMBL20120034 0.61 GRIK1 (0.38) KDM4EBRD4LGMN
SCHEMBL18029350 0.61 PLA2G4A (0.45) KDM4E
SCHEMBL18029387 0.59 PTGS2 (0.43) KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed