SCHEMBL30168342

SCHEMBL30168342

OB(O)c1ccc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
MGLL Q99685 2/20 0.45
CA1 P00915 2/20 0.45
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
ENPP2 Q13822 3/20 0.39
CYP19A1 P11511 1/20 0.38
TSHR P16473 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL28815169 0.89 CA2 (0.54) CA2MGLLCA1ENPP2TSHR
SCHEMBL2700560 0.87 CA2 (0.58) CA2MGLLCA1MAPTLMNA
SCHEMBL14933428 0.81 CA1 (0.71) CA2MGLLCA1MAPTENPP2
SCHEMBL28713840 0.80 SMN1; SMN2 (0.50) CA2MGLLCA1MAPTLMNA
SCHEMBL29419996 0.80 SMN1; SMN2 (0.50) CA2MGLLCA1MAPTLMNA
SCHEMBL11957581 0.79 MAPT (0.65) MAPTLMNACYP19A1TSHRNPC1
SCHEMBL18538202 0.79 MAPT (0.65) MAPTLMNACYP19A1TSHRNPC1
SCHEMBL19733198 0.79 CA1 (0.75) CA2MGLLCA1MAPTENPP2
SCHEMBL19733202 0.79 CA1 (0.75) CA2MGLLCA1MAPTENPP2
SCHEMBL21125642 0.79 CA1 (0.75) CA2MGLLCA1MAPTENPP2

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-110494426-B Heterocyclic compound and organic light-emitting element using same 株式会社LG化学 2022-12-30 CN disclosed