SCHEMBL29928843

SCHEMBL29928843

CSc1ncc(Cl)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
HTT P42858 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
PABPC1 P11940 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL28862798 1.00 PLAU (0.42) PLAUHTTHPGDHSD17B10KMT2A
SCHEMBL31627336 0.71
SCHEMBL9948527 0.71
SCHEMBL29928897 0.71 PLAU (0.34) PLAUHTTHPGDHSD17B10KMT2A
SCHEMBL7843693 0.71 PLAU (0.42) PLAUHTTHSD17B10KMT2AMEN1
SCHEMBL16825026 0.71 PLAU (0.34) PLAUHTTHPGDHSD17B10KMT2A
SCHEMBL18378745 0.71 PLAU (0.42) PLAUHTTHPGDHSD17B10KMT2A
SCHEMBL24529425 0.71 HSD17B10 (0.33) HSD17B10POLB
SCHEMBL7832446 0.71 KDM4E (0.42) HTTHPGDHSD17B10KMT2AMEN1
SCHEMBL24529295 0.71 ALDH1A3 (0.38) HTTALDH1A1NPC1RAB9ASMN1; SMN2

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-115190879-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2022-10-14 CN disclosed