SCHEMBL28639377

SCHEMBL28639377

NN=C(N)NC(=Cc1c(F)cccc1Cl)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 2/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALOX12 P18054 1/20 0.39
ATM Q13315 1/20 0.39
MDM4 O15151 1/20 0.39
MAPT P10636 1/20 0.39
MDM2 Q00987 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL28644203 0.80 HDAC1 (0.41) LMNAALDH1A1KDM4ERAB9ANPC1
SCHEMBL2222966 0.68 LMNA (0.52) PBRM1LMNAALDH1A1KDM4ERAB9A
SCHEMBL5774816 0.67 LMNA (0.48) PBRM1LMNAALDH1A1KDM4ERAB9A
SCHEMBL8153650 0.66 SMN1; SMN2 (0.63) PBRM1LMNAALDH1A1KDM4ERAB9A
SCHEMBL8153652 0.66 SMN1; SMN2 (0.63) PBRM1LMNAALDH1A1KDM4ERAB9A
SCHEMBL10907125 0.66 MEN1 (0.63) LMNAALDH1A1RAB9ANPC1HTT
Acetic Acid SCHEMBL17395940 0.65 MEN1 (0.54) PBRM1LMNAALDH1A1RAB9ANPC1
Acetic Acid SCHEMBL17395939 0.65 MEN1 (0.54) PBRM1LMNAALDH1A1RAB9ANPC1
SCHEMBL5425536 0.65 HPGD (0.62) LMNAALDH1A1KDM4ERAB9ANPC1
SCHEMBL14198041 0.65 LMNA (0.51) PBRM1LMNAALDH1A1KDM4ERAB9A

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
CN-107074752-B Therapeutic use of benzylidene guanidine derivatives for the treatment of protein conformation disorders 英费列特斯生命科学公司 2021-10-26 CN disclosed