SCHEMBL23846376

SCHEMBL23846376

O=C(Nc1ccc(F)c(SNc2ccc(Cl)cc2)c1)c1cccc(-c2cncnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.56
▸ CNR1 P21554 3/20 0.56
▸ CNR2 P34972 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MET P08581 1/20 0.42
▸ SUCNR1 Q9BXA5 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RHOC P08134 1/20 0.42
▸ RHOA P61586 1/20 0.42
▸ CSF1R P07333 1/20 0.42

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
SCHEMBL25754353 0.79 ABL1 (0.56) ABL1CNR1CNR2L3MBTL1MEN1
SCHEMBL23846502 0.76 TP53 (0.50) CNR1L3MBTL1METMEN1KMT2A
SCHEMBL23846538 0.74 KDR (0.51) L3MBTL1RAB9AMEN1KMT2A
SCHEMBL30469231 0.73 CNR1 (1.00) CNR1CNR2
SCHEMBL20557634 0.73 CNR1 (1.00) CNR1CNR2
SCHEMBL23846640 0.72 KCNQ3 (0.46) L3MBTL1NPC1RAB9AKMT2A
SCHEMBL15392021 0.72 ABL1 (1.00) ABL1MET
SCHEMBL23846647 0.71 RAB9A (0.45) L3MBTL1GRM5NPC1RAB9AMEN1
SCHEMBL23846539 0.71 NPC1 (0.55) L3MBTL1NPC1MEN1KMT2A
SCHEMBL15392868 0.71 ABL1 (0.69) ABL1NPC1RAB9A

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-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
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