SCHEMBL30059627

SCHEMBL30059627

CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
LPL P06858 12/20 0.44
LIPG Q9Y5X9 12/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HCAR3 P49019 1/20 0.40
NNMT P40261 1/20 0.39

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
SCHEMBL182754 1.00 DGAT1 (0.46) DGAT1LPLLIPGCA1CA2
SCHEMBL16006727 0.84 DGAT1 (0.48) DGAT1LPLLIPGCA1CA2
SCHEMBL2425695 0.81 HCAR3 (0.44) DGAT1LPLLIPGCA1CA2
SCHEMBL2432651 0.81 LPL (0.50) DGAT1LPLLIPGCA1CA2
SCHEMBL19996746 0.81 DGAT1 (0.43) DGAT1LPLLIPGCA1CA2
SCHEMBL14872969 0.80 DGAT1 (0.45) DGAT1LPLLIPGCA1CA2
SCHEMBL23247903 0.80 ALPL (0.40) DGAT1LPLLIPG
SCHEMBL14872842 0.80 DGAT1 (0.48) DGAT1LPLLIPGCA1CA2
SCHEMBL25565196 0.80 ESR2 (0.34) DGAT1LPLLIPGCA1CA2
SCHEMBL20068614 0.79 DGAT1 (0.56) DGAT1LPLLIPGCA1CA2

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-115304544-B Synthesis method of 5-bromo-2- (methylamino) pyridine 童航 2024-02-09 CN disclosed
CN-115304544-A Synthetic method of 5-bromo-2- (methylamino) pyridine 童航 2022-11-08 CN disclosed