SCHEMBL28315151

SCHEMBL28315151

B.C=CC(=O)NCCNC(=O)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.47
NAMPT P43490 1/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
TGM2 P21980 1/20 0.46

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
SCHEMBL15038304 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29112041 0.78 NPC1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31188513 0.78 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28313806 0.77 RAB9A (0.40) NPC1RAB9AKDM4ETGM2
SCHEMBL31419615 0.77 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5636190 0.77 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12462425 0.77 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13644470 0.76 ESRRG (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31336271 0.76 ESRRG (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31336270 0.76 ESRRG (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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-110054696-A Compound magnetic bead of a kind of bionical polypeptide of mussel and the preparation method and application thereof 江苏大学 2019-07-26 CN claimed