SCHEMBL22100562

SCHEMBL22100562

COC(=O)CC(C)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNA5 P22460 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ABCB1 P08183 1/20 0.42
TSHR P16473 1/20 0.41
RORC P51449 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL24766843 1.00 MEN1 (0.46) MEN1KMT2AKCNA5NPC1RAB9A
SCHEMBL14085934 0.84 MEN1 (0.43) MEN1KMT2AKCNA5NPC1RAB9A
SCHEMBL9131611 0.84 MEN1 (0.47) MEN1KMT2ANPC1RAB9ARORC
SCHEMBL3450837 0.82 MEN1 (0.41) MEN1KMT2AKCNA5NPC1RAB9A
SCHEMBL3450839 0.82 MEN1 (0.41) MEN1KMT2AKCNA5NPC1RAB9A
SCHEMBL14085943 0.80 MEN1 (0.40) MEN1KMT2AKCNA5NPC1RAB9A
SCHEMBL21480168 0.79 KDM4E (0.46) MEN1KMT2ARORCHDAC3HDAC1
SCHEMBL10509525 0.79 NPC1 (0.51) MEN1KMT2AKCNA5NPC1RAB9A
SCHEMBL3364898 0.79 NPC1 (0.52) MEN1KMT2ANPC1RAB9AHDAC3
SCHEMBL6321619 0.78 MEN1 (0.49) MEN1KMT2AKCNA5NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894416-B1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS INC (US) 2022-11-09 EP disclosed
WO-2020123850-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-06-18 WO disclosed