SCHEMBL23491339

SCHEMBL23491339

CC(CNCC(=O)NCC(=O)NCc1[nH]c2ccncc2c1F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ KCNA5 P22460 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ GPR139 Q6DWJ6 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ DGAT2 Q96PD7 4/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ KLK6 Q92876 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL23452429 0.75 ACHE (0.40) MAPT
SCHEMBL23492969 0.72 MASP2 (0.49) L3MBTL1SMN1; SMN2HTTROCK2GPR139
SCHEMBL23491352 0.70 NPC1 (0.48) L3MBTL1HPGDHTTGPR139TP53
SCHEMBL23478372 0.69 NAMPT (0.43) L3MBTL1LMNA
SCHEMBL23491362 0.66 F2 (0.44) MAPK1POLBPRSS1PRSS2PRSS3
SCHEMBL16128275 0.63 TAAR1 (0.53) HPGDHTT
SCHEMBL23493002 0.62 BCHE (0.47) L3MBTL1MAPTMAPK1
Trifluoroacetic Acid SCHEMBL23452232 0.62 HTR6 (0.42) MAPT
SCHEMBL25054045 0.62 NPC1 (0.47) L3MBTL1MAPTHPGDHTTGPR139
SCHEMBL23478373 0.61 HTR6 (0.51) MAPTSMN1; SMN2HPGD

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-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
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