SCHEMBL5593162

SCHEMBL5593162

COc1nc2ncnn2c(N2CCCCCC2)c1-c1cc(F)c(C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
RECQL P46063 1/20 0.38
PAX2 Q02962 1/20 0.36
PDE2A O00408 8/20 0.35
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 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
SCHEMBL5593514 0.89 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5593199 0.89 LMNA (0.40) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL5593233 0.89 PDE2A (0.39) SMN1; SMN2ALDH1A1HSD17B10LMNAPDE2A
SCHEMBL5593192 0.87 PAX2 (0.43) SMN1; SMN2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5593377 0.86 EGLN2 (0.38) SMN1; SMN2ALDH1A1HSD17B10LMNAHTT
SCHEMBL5593183 0.85 PDE2A (0.37) SMN1; SMN2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5593122 0.85 PAX2 (0.37) SMN1; SMN2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5593567 0.84 PDE2A (0.39) PDE2AEGLN2
SCHEMBL5593345 0.82 EGLN2 (0.42) ALDH1A1HPGDLMNAPAX2PDE2A
SCHEMBL5593273 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HSD17B10KDM4EHPGD

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