SCHEMBL25399747

SCHEMBL25399747

Ic1csc2ccc(-c3ccccc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.38
PIM3 Q86V86 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
ALOX5 P09917 1/20 0.35
JAK2 O60674 2/20 0.35
F9 P00740 2/20 0.35
PIK3CA P42336 2/20 0.35
TRIM58 Q8NG06 1/20 0.35
RIPK2 O43353 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1311055 0.79 GSK3B (0.43) LIMK1PIM3MKNK1ALOX5JAK2
SCHEMBL16238206 0.79 ALDH1A1 (0.41) LIMK1PIM3MKNK1ALOX5JAK2
SCHEMBL25772719 0.78 CYP2A6 (0.55) LIMK1PIM3MKNK1ALOX5JAK2
SCHEMBL25906973 0.78 F9 (0.38) LIMK1PIM3MKNK1ALOX5JAK2
SCHEMBL19735066 0.74 CYP2A6 (0.62) ALOX5F9PIK3CAALDH1A1MAPT
SCHEMBL17912645 0.74 CYP2A6 (0.61) LIMK1PIK3CATRIM58ALDH1A1KDM4E
SCHEMBL23645507 0.74 MAPT (0.61) LIMK1PIM3MKNK1ALOX5F9
SCHEMBL10198118 0.74 CYP2A6 (0.42) LIMK1PIM3MKNK1MAPTSMN1; SMN2
SCHEMBL4807204 0.73 CYP2A6 (0.50) ALOX5ALDH1A1KDM4EMEN1NPC1
SCHEMBL15089150 0.72 LIMK1 (0.45) LIMK1PIM3ALOX5JAK2F9

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-2023172110-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-09-14 WO disclosed