SCHEMBL19972838

SCHEMBL19972838

Cc1cc(F)c(Nc2c(-c3c(F)cc(C#N)cc3F)c(C)nn2C)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
AR P10275 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
SLC34A1 Q06495 2/20 0.31
EGLN2 Q96KS0 1/20 0.31
NMT1 P30419 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
SCHEMBL19972835 0.97 LMNA (0.34) LMNAARKCNJ6KCNJ5KCNJ3
SCHEMBL19972834 0.86 LMNA (0.33) LMNAEGLN2NMT1
SCHEMBL19972842 0.84 EGLN2 (0.35) LMNAARSLC34A1EGLN2
SCHEMBL173306 0.80 SLC34A1 (0.36) LMNAARSLC34A1EGLN2
SCHEMBL1724972 0.79 SLC34A1 (0.38) LMNAARSLC34A1
SCHEMBL170661 0.79 EGFR (0.39) LMNAARSLC34A1EGLN2
SCHEMBL175944 0.78 AR (0.36) LMNAARSLC34A1EGLN2
SCHEMBL19972836 0.77 AR (0.33) LMNAARSLC34A1EGLN2NMT1
SCHEMBL17200652 0.77 HSD11B1 (0.38) SLC34A1
SCHEMBL173251 0.76 EGLN2 (0.39) LMNASLC34A1EGLN2

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