SCHEMBL22033253

SCHEMBL22033253

O=C(Nc1cc(Cl)cc(Br)c1)c1cc(N2CCCS2(O)O)cc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ TMPRSS4 Q9NRS4 2/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ HSPD1 P10809 1/20 0.33
▸ HSPE1 P61604 1/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ ATF1 P18846 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ FADS1 O60427 1/20 0.32

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
SCHEMBL22033918 0.92 MAPT (0.40) MEN1KMT2ATMPRSS4RAB9ANPC1
SCHEMBL22033254 0.90 TP53 (0.41) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL22032991 0.88 P2RX1 (0.38) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL22033214 0.88 TP53 (0.38) MEN1KMT2ATMPRSS4RAB9ANPC1
SCHEMBL22033587 0.86 RAB9A (0.34) MEN1KMT2ATMPRSS4RAB9ANPC1
SCHEMBL22033143 0.86 P2RX1 (0.42) MEN1KMT2ATMPRSS4MAPTP2RX1
SCHEMBL22033228 0.85 RIPK1 (0.38) MEN1KMT2ATMPRSS4RAB9ANPC1
SCHEMBL22032878 0.85 TP53 (0.39) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL22032958 0.84 FADS1 (0.44) MEN1KMT2ARAB9ANPC1NPSR1
SCHEMBL22033344 0.84 P2RX1 (0.40) MEN1KMT2ARAB9ANPC1ATM

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-2020117877-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2020-06-11 — — WO disclosed
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