SCHEMBL23492969

SCHEMBL23492969

CC(CNCC(=O)NCC(=O)NCc1cc2c(Br)cncc2[nH]1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 2/20 0.49
▸ F2 P00734 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 6/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ GPR139 Q6DWJ6 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL23491339 0.72 L3MBTL1 (0.41) L3MBTL1MAPK1HTTROCK2GPR139
SCHEMBL23491352 0.70 NPC1 (0.48) L3MBTL1HTTGPR139TP53TDP1
SCHEMBL23492971 0.68 F2 (0.45) MASP2F2MAPK1
SCHEMBL23491362 0.68 F2 (0.44) MASP2F2MAPK1MTNR1AMTNR1B
SCHEMBL16128275 0.63 TAAR1 (0.53) HTTTDP1MEN1KMT2ANPC1
SCHEMBL23493002 0.62 BCHE (0.47) L3MBTL1MAPK1MEN1KMT2ARAB9A
SCHEMBL23452293 0.62 RHEB (0.47) MASP2F2POLB
SCHEMBL25054045 0.62 NPC1 (0.47) L3MBTL1HTTGPR139TDP1MEN1
SCHEMBL23452513 0.59 MASP2 (0.34) MASP2F2
SCHEMBL23478648 0.59 LOXL2 (0.39) MASP2F2

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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