SCHEMBL5593191

SCHEMBL5593191

COc1cc(F)c(-c2c(C#N)nc3ncnn3c2N2CCCCCC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
EGLN2 Q96KS0 5/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDE2A O00408 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 5/20 0.37
HTT P42858 2/20 0.37
KDM1A O60341 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.34
RECQL P46063 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
SCHEMBL5593357 0.90 KDM1A (0.41) ALDH1A1EGLN2HPGDKDM4EHSD17B10
SCHEMBL5593090 0.89 PDE2A (0.40) ALDH1A1EGLN2HPGDKDM4EHSD17B10
SCHEMBL5593345 0.87 EGLN2 (0.42) ALDH1A1EGLN2HPGDPDE2ATDP1
SCHEMBL5593341 0.86 EGLN2 (0.41) ALDH1A1EGLN2HPGDKDM4EHSD17B10
SCHEMBL5593273 0.86 SMN1; SMN2 (0.42) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL5593514 0.86 SMN1; SMN2 (0.40) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL5593131 0.85 EGLN2 (0.44) EGLN2PDE2AKDM1A
SCHEMBL5593410 0.85 SMN1; SMN2 (0.39) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL5593414 0.81 MAPT (0.38) ALDH1A1EGLN2HPGDKDM4EHSD17B10
SCHEMBL5593450 0.79 MAPT (0.39) EGLN2SMN1; SMN2PDE2AMAPTKDM1A

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 1 patent. 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