SCHEMBL18904027

SCHEMBL18904027

Cc1nn(C)c(C)c1N[S+]([O-])c1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ F2 P00734 2/20 0.49
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MRGPRX1 Q96LB2 1/20 0.47
▸ NMT1 P30419 1/20 0.43
▸ BCHE P06276 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL18904151 0.80 NPC1 (0.42) MAPTMEN1KMT2AGAATP53
SCHEMBL18904188 0.75 KMT2A (0.46) MAPTMEN1KMT2ACA12CA9
SCHEMBL11838896 0.72 MAPT (0.84) MAPTMEN1KMT2AGAABLM
SCHEMBL18904219 0.72 NMT1 (0.55) NMT1
SCHEMBL18903961 0.72 NMT1 (0.52) MAPTMEN1KMT2ANMT1RAB9A
SCHEMBL8082984 0.71 MAPT (0.82) MAPTMEN1KMT2AGAABLM
SCHEMBL16509534 0.70 NMT1 (0.60) NMT1L3MBTL1SMN1; SMN2
SCHEMBL18903977 0.69 NMT1 (0.46) NMT1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4667164 0.69 MAPT (1.00) MAPTMEN1KMT2AGAABLM
SCHEMBL18904208 0.68 NMT1 (0.39) NMT1SMN1; SMN2

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
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 — — EP disclosed
Send feedback