SCHEMBL5593497

SCHEMBL5593497

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2NCC(C)C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.36
BCL6 P41182 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
GRM8 O00222 1/20 0.34
GRM7 Q14831 1/20 0.34
GRM4 Q14833 1/20 0.34
CRHR1 P34998 2/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL5593411 0.89 SMN1; SMN2 (0.41) MBOAT4BCL6NCOR2SMN1; SMN2LMNA
SCHEMBL5593367 0.89 SMN1; SMN2 (0.36) BCL6NCOR2SMN1; SMN2LMNAHTT
SCHEMBL5593471 0.87 ALDH1A1 (0.36) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL5593329 0.86 MBOAT4 (0.40) MBOAT4SMN1; SMN2LMNAHTTKMT2A
SCHEMBL5593124 0.86 EGLN2 (0.35) MBOAT4BCL6NCOR2SMN1; SMN2LMNA
SCHEMBL5593464 0.85 CRHR1 (0.39) MBOAT4SMN1; SMN2LMNAHTTKMT2A
SCHEMBL5593347 0.85 MBOAT4 (0.35) MBOAT4SMN1; SMN2LMNAHTTKMT2A
SCHEMBL4818746 0.83 MBOAT4 (0.36) MBOAT4SMN1; SMN2LMNAHTTKMT2A
SCHEMBL5593211 0.83 MBOAT4 (0.38) MBOAT4SMN1; SMN2LMNAHTTKMT2A
SCHEMBL5593148 0.81 PDE2A (0.36) MBOAT4SMN1; SMN2KMT2ANPC1CYP1A2

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-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO claimed
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO disclosed