SCHEMBL22700925

SCHEMBL22700925

Cc1cc(C(=O)CCN)cc([S+]([O-])CC2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LDLR P01130 1/20 0.33
NPC1 O15118 6/20 0.33
RAB9A P51151 4/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 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
SCHEMBL3388399 0.82 KMT2A (0.40) L3MBTL1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL1710677 0.81 KMT2A (0.38) L3MBTL1MEN1KMT2ALDLRNPC1
SCHEMBL3387847 0.73 ALDH1A1 (0.38) L3MBTL1MEN1KMT2ALDLRNPC1
SCHEMBL14139168 0.72 TPMT (0.48) KMT2ASMYD3KDM4ELMNAHDAC3
SCHEMBL1722558 0.71 SMN1; SMN2 (0.43) MEN1KMT2ALDLRNPC1RAB9A
SCHEMBL1726498 0.68 KMT2A (0.35) L3MBTL1MEN1KMT2ALDLRNPC1
SCHEMBL22700895 0.67 MEN1 (0.34) L3MBTL1MEN1KMT2ALDLRNPC1
SCHEMBL1725661 0.66 EPHX1 (0.40) L3MBTL1MEN1KMT2ALDLRRAB9A
SCHEMBL1710420 0.65 HAO1 (0.37) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL27979216 0.64 EPHX2 (0.38) KMT2ANPC1RAB9A

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-3741742-A1 METHODS FOR THE TREATMENT OF DIABETIC RETINOPATHY AND OTHER OPHTHALMIC DISEASES Acucela Inc. (US) 2020-11-25 EP disclosed