SCHEMBL28856400

SCHEMBL28856400

NC(Br)c1nc2c(-c3ccccc3)cccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.39
ENPP1 P22413 2/20 0.38
RET P07949 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
F9 P00740 1/20 0.35
LIPG Q9Y5X9 3/20 0.34
DHODH Q02127 1/20 0.33
HPGD P15428 1/20 0.33
SLC9A1 P19634 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ALDH1A1 P00352 4/20 0.32
PDPK1 O15530 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL10052153 0.81 TLR8 (0.42) LIMK1ENPP1RETFLT1KDR
SCHEMBL1806582 0.76 ALDH1A1 (0.56) LIMK1RETFLT1KDRMAPK14
SCHEMBL28215029 0.74 APP (0.45) LIMK1ENPP1RETFLT1KDR
SCHEMBL9307538 0.72 LIPG (0.37) LIMK1ENPP1RETFLT1KDR
SCHEMBL8092634 0.72 ALDH1A1 (0.51) LIMK1ENPP1RETFLT1KDR
SCHEMBL16004771 0.72 RET (0.47) LIMK1ENPP1RETFLT1KDR
SCHEMBL900791 0.72 ALOX5 (0.43) LIMK1ENPP1RETFLT1KDR
SCHEMBL28819175 0.72 RET (0.41) LIMK1ENPP1RETFLT1KDR
SCHEMBL1772204 0.72 RET (0.41) LIMK1ENPP1RETFLT1KDR
SCHEMBL27845716 0.72 RET (0.41) LIMK1ENPP1RETFLT1KDR

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-103214471-B The preparation method of compound with Na-dependent glucose transporter inhibitory activity 田边三菱制药株式会社 2018-02-06 CN disclosed