SCHEMBL19972842

SCHEMBL19972842

Cc1cc(Cl)c(Nc2c(-c3ccc(C#N)cc3F)c(C)nn2C)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 6/20 0.35
SLC34A1 Q06495 6/20 0.34
LMNA P02545 1/20 0.34
AR P10275 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL173306 0.90 SLC34A1 (0.36) EGLN2SLC34A1LMNAARCYP11B1
SCHEMBL173251 0.89 EGLN2 (0.39) EGLN2SLC34A1LMNACYP11B1CYP11B2
SCHEMBL19972835 0.87 LMNA (0.34) EGLN2SLC34A1LMNAAR
SCHEMBL28057336 0.86 SLC34A1 (0.35) EGLN2SLC34A1LMNAARCYP11B1
SCHEMBL17200663 0.85 SLC34A1 (0.42) SLC34A1
SCHEMBL171014 0.84 EGLN2 (0.36) EGLN2SLC34A1LMNAARCYP11B1
SCHEMBL19972838 0.84 LMNA (0.33) EGLN2SLC34A1LMNAAR
SCHEMBL175944 0.83 AR (0.36) EGLN2SLC34A1LMNAARCYP11B1
SCHEMBL19972836 0.83 AR (0.33) EGLN2SLC34A1LMNAARCYP11B1
SCHEMBL1724972 0.81 SLC34A1 (0.38) SLC34A1LMNAAR

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