SCHEMBL5593199

SCHEMBL5593199

COc1nc2ncnn2c(N2CCC(C)CC2)c1-c1cc(F)c(C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 3/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE2A O00408 9/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
PAX2 Q02962 1/20 0.34
MAPT P10636 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5593377 0.95 EGLN2 (0.38) LMNAALDH1A1TSHRGLANPSR1
SCHEMBL5593501 0.90 PDE2A (0.40) LMNAALDH1A1TSHRGLANPSR1
SCHEMBL5593233 0.90 PDE2A (0.39) LMNAALDH1A1TSHRGLANPSR1
SCHEMBL5593162 0.89 SMN1; SMN2 (0.40) LMNAALDH1A1TSHRNPSR1PDE2A
SCHEMBL5593344 0.88 LMNA (0.44) LMNAALDH1A1TSHRGLANPSR1
SCHEMBL5747350 0.87 LMNA (0.41) LMNAALDH1A1TSHRGLANPSR1
SCHEMBL5593427 0.86 ALDH1A1 (0.41) LMNAALDH1A1TSHRGLANPSR1
SCHEMBL5593567 0.85 PDE2A (0.39) PDE2AEGLN2
SCHEMBL5593163 0.85 PDE2A (0.40) LMNAALDH1A1TSHRGLANPSR1
SCHEMBL5593183 0.85 PDE2A (0.37) LMNAALDH1A1TSHRGLANPSR1

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