SCHEMBL19972836

SCHEMBL19972836

Cc1cc(F)c(Nc2c(-c3ccc(C#N)cc3Cl)c(C)nn2C)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.33
EGLN2 Q96KS0 4/20 0.31
LMNA P02545 1/20 0.31
SLC34A1 Q06495 4/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
NMT1 P30419 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL171014 0.88 EGLN2 (0.36) AREGLN2LMNASLC34A1CYP11B1
SCHEMBL17200658 0.87 HSD11B1 (0.36) SLC34A1NMT1
SCHEMBL175944 0.85 AR (0.36) AREGLN2LMNASLC34A1CYP11B1
SCHEMBL30211214 0.84 VCAM1 (0.38) ARLMNASLC34A1
SCHEMBL23804415 0.84 VCAM1 (0.38) ARLMNASLC34A1
SCHEMBL19972834 0.84 LMNA (0.33) EGLN2LMNANMT1
SCHEMBL19972842 0.83 EGLN2 (0.35) AREGLN2LMNASLC34A1CYP11B1
SCHEMBL1724972 0.81 SLC34A1 (0.38) ARLMNASLC34A1
SCHEMBL173251 0.81 EGLN2 (0.39) EGLN2LMNASLC34A1CYP11B1CYP11B2
SCHEMBL170814 0.80 SLC34A1 (0.39) SLC34A1

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
WO-2018052838-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-03-22 WO claimed
WO-2018052838-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-03-22 WO disclosed