SCHEMBL8104396

SCHEMBL8104396

COc1nn(C)c(=O)n1-c1cocc1CBr

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
BRD9 Q9H8M2 2/20 0.32

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
SCHEMBL8091728 0.86 SMN1; SMN2 (0.32) SMN1; SMN2BRD9
SCHEMBL6075631 0.79 SMN1; SMN2 (0.35) SMN1; SMN2BRD9
SCHEMBL8090469 0.71 SMN1; SMN2 (0.34) SMN1; SMN2BRD9
SCHEMBL8492895 0.70 BRD9 (0.35) SMN1; SMN2BRD9
SCHEMBL8002388 0.66 RXFP1 (0.42) SMN1; SMN2BRD9
SCHEMBL17159666 0.66 IDO1 (0.43) SMN1; SMN2BRD9
SCHEMBL8483512 0.65 KDM4E (0.45) SMN1; SMN2BRD9
SCHEMBL8706871 0.64 TNF (0.39) SMN1; SMN2
SCHEMBL8103652 0.63 SMN1; SMN2 (0.34) SMN1; SMN2BRD9
SCHEMBL6977197 0.63 ALDH1A1 (0.40) SMN1; SMN2BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US disclosed
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP disclosed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed