SCHEMBL22081673

SCHEMBL22081673

O=C(Nc1ccc(Cl)cc1)c1cc(N2CCCCS2)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.63
▸ MEN1 O00255 6/20 0.63
▸ ATM Q13315 1/20 0.54
▸ LMNA P02545 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ JAK2 O60674 1/20 0.45

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
SCHEMBL22081678 0.88 MEN1 (0.54) KMT2AMEN1ATMLMNARAB9A
SCHEMBL22081719 0.87 KMT2A (0.52) KMT2AMEN1ATMLMNARAB9A
SCHEMBL22082684 0.84 MEN1 (0.52) KMT2AMEN1ATMLMNARAB9A
SCHEMBL22081792 0.84 KMT2A (0.57) KMT2AMEN1ATMLMNARAB9A
SCHEMBL22082644 0.83 KMT2A (0.48) KMT2AMEN1ATMLMNARAB9A
SCHEMBL22082793 0.82 KMT2A (0.51) KMT2AMEN1ATMLMNARAB9A
SCHEMBL22081852 0.82 KMT2A (0.56) KMT2AMEN1ATMLMNARAB9A
SCHEMBL22082690 0.82 KMT2A (0.47) KMT2AMEN1ATMLMNARAB9A
SCHEMBL22082653 0.82 TSHR (0.46) KMT2AMEN1LMNARAB9AMAPT
SCHEMBL22081704 0.80 P2RX1 (0.48) KMT2AMEN1MAPTJAK2JAK1

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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