SCHEMBL30880334

SCHEMBL30880334

Cc1c(Br)ccc(C(N)=O)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
ERN1 O75460 1/20 0.43
JAK2 O60674 1/20 0.40
BTK Q06187 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NNMT P40261 3/20 0.36
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAP2K1 Q02750 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL149886 1.00 DGAT1 (0.47) DGAT1ERN1JAK2BTKALDH1A1
SCHEMBL31690101 0.82 SMN1; SMN2 (0.33) DGAT1ALDH1A1MAPTTDP1HPGD
SCHEMBL29562032 0.82 EPRS1 (0.40) ALDH1A1KDM4E
SCHEMBL206341 0.82 EPRS1 (0.40) ALDH1A1KDM4E
SCHEMBL28221345 0.82 DGAT1 (0.52) DGAT1ERN1JAK2BTKALDH1A1
SCHEMBL3117625 0.82 ERN1 (0.47) DGAT1ERN1JAK2BTKALDH1A1
SCHEMBL29196743 0.80 TDP1 (0.41) DGAT1ALDH1A1MAPTNNMTSIRT3
SCHEMBL18150159 0.79 DGAT1 (0.32) DGAT1HPGD
SCHEMBL16122584 0.78 DGAT1 (0.48) DGAT1ERN1JAK2BTKALDH1A1
SCHEMBL17818478 0.78 ERN1 (0.44) DGAT1ERN1JAK2BTKALDH1A1

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
CN-117820218-B Preparation method of apatamide and intermediate 江苏希迪制药有限公司 2025-05-27 CN disclosed
CN-117820218-A Preparation method of apatamide and intermediate 江苏希迪制药有限公司 2024-04-05 CN disclosed