SCHEMBL25512450

SCHEMBL25512450

CN1CCC(NC(=O)c2ccc(C(=O)I)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.54
HDAC4 P56524 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL2144491 0.89 CYP1A2 (0.61) SLC6A5HDAC4HDAC6CARM1PRMT6
SCHEMBL16222287 0.87 CARM1 (0.56) SLC6A5HDAC4HDAC6CARM1PRMT6
SCHEMBL25511894 0.87 SLC6A5 (0.54) SLC6A5HDAC4HDAC6CARM1PRMT6
SCHEMBL1202785 0.87 SLC6A5 (0.54) SLC6A5HDAC4HDAC6CARM1PRMT6
SCHEMBL10195592 0.87 NPC1 (0.69) SLC6A5HDAC4HDAC6CARM1PRMT6
SCHEMBL12089912 0.86 LMNA (0.53) SLC6A5HDAC4HDAC6CARM1PRMT6
SCHEMBL4749226 0.86 NPC1 (0.67) SLC6A5HDAC4HDAC6RAB9ANPC1
SCHEMBL20551505 0.86 NPSR1 (0.54) SLC6A5HDAC4HDAC6CARM1PRMT6
SCHEMBL363917 0.85 CARM1 (0.69) CARM1PRMT6RAB9ANPC1SMN1; SMN2
SCHEMBL12139819 0.84 MEN1 (0.67) SLC6A5HDAC4HDAC6CARM1PRMT6

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-2023086399-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed