SCHEMBL19972834

SCHEMBL19972834

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
EGLN2 Q96KS0 1/20 0.31
NMT1 P30419 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19972838 0.86 LMNA (0.33) LMNAEGLN2NMT1
SCHEMBL19972835 0.85 LMNA (0.34) LMNAEGLN2NMT1
SCHEMBL19972836 0.84 AR (0.33) LMNAEGLN2NMT1
SCHEMBL17200653 0.77 MAPT (0.35) NMT1KDM4EGALR3MAPTHTT
SCHEMBL17200664 0.77 SLC34A1 (0.37) NMT1KDM4EGALR3MAPTHTT
SCHEMBL170377 0.75 KMT2A (0.39) NMT1KDM4EGALR3MAPTHTT
SCHEMBL17200658 0.75 HSD11B1 (0.36) NMT1KDM4EGALR3MAPTHTT
SCHEMBL15974249 0.74 NMT1 (0.40) NMT1KDM4EGALR3MAPTHTT
SCHEMBL170661 0.74 EGFR (0.39) LMNAEGLN2
SCHEMBL19972842 0.73 EGLN2 (0.35) LMNAEGLN2

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