SCHEMBL30788043

SCHEMBL30788043

CC(C)(O)c1ncc(Br)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
DYRK1A Q13627 2/20 0.33
IDO1 P14902 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 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
SCHEMBL22140337 1.00 KMT2A (0.41) KMT2AHTTDYRK1AIDO1CHEK1
SCHEMBL5254693 0.80 S1PR1 (0.36) KMT2AHTTDYRK1AIDO1NPC1
SCHEMBL22140338 0.80 MAPT (0.41) AURKAMAP4K4AURKBUHRF1MAPT
SCHEMBL24852675 0.78 NOS3 (0.42) PLAUUHRF1ALDH1A1KDM4ELMNA
SCHEMBL30788039 0.78 NOS3 (0.42) PLAUUHRF1ALDH1A1KDM4ELMNA
SCHEMBL2147947 0.78 HTT (0.33) KMT2AHTTNPC1PLAUALDH1A1
SCHEMBL30788049 0.77 PGR (0.36) HTTIDO1PLAUALDH1A1HSD17B10
SCHEMBL24852699 0.77 PGR (0.36) HTTIDO1PLAUALDH1A1HSD17B10
SCHEMBL25206015 0.77 PLAU (0.43) KMT2AHTTPLAUALDH1A1KDM4E
SCHEMBL29818360 0.77 PLAU (0.43) KMT2AHTTPLAUALDH1A1KDM4E

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-117580569-A Heterocyclic aldehyde capture compounds and uses thereof 奥尔德拉医疗公司 2024-02-20 CN disclosed