SCHEMBL23944624

SCHEMBL23944624

COc1nc2ccccc2cc1-c1c(Br)ccc(Cl)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR8 Q9NR97 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE5A O76074 1/20 0.37
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGES O14684 1/20 0.35
BCL2L11 O43521 1/20 0.35
BID P55957 1/20 0.35
BCL2L1 Q07817 1/20 0.35

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
SCHEMBL23944610 0.80 TLR8 (0.50) HPGDALDH1A1TLR8MEN1KMT2A
SCHEMBL23944699 0.78 BTK (0.46) BTKHPGDALDH1A1TLR8MEN1
SCHEMBL28006217 0.74 TLR8 (0.49) BTKHPGDALDH1A1TLR8KDM4E
SCHEMBL12970296 0.71 TLR8 (0.49) BTKHPGDALDH1A1TLR8MEN1
SCHEMBL28905014 0.70 BTK (0.57) BTKHPGDALDH1A1TLR8MEN1
SCHEMBL23944626 0.68 MAOA (0.37) TLR8
SCHEMBL23944609 0.68 MAOA (0.37) TLR8
SCHEMBL31378885 0.68 TLR8 (0.58) BTKHPGDALDH1A1TLR8MEN1
SCHEMBL177896 0.68 TLR8 (0.58) BTKHPGDALDH1A1TLR8MEN1
SCHEMBL30989197 0.68 BTK (0.49) BTKHPGDALDH1A1TLR8MEN1

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
WO-2021210910-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-10-21 WO disclosed