SCHEMBL29977366

SCHEMBL29977366

Nc1ccc(C2CCN(C(=O)O)CC2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
KDM1A O60341 3/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 2/20 0.36
MGLL Q99685 1/20 0.36
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CASP6 P55212 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL5779590 0.86 SLC18A3 (0.42) SLC18A3MEN1KMT2AHTTMGLL
SCHEMBL2241229 0.86 SLC18A3 (0.55) SLC18A3HTTKDM1AMAOANPC1
SCHEMBL2241225 0.86 SLC18A3 (0.55) SLC18A3HTTKDM1AMAOANPC1
SCHEMBL6042250 0.86 SLC18A3 (0.55) SLC18A3HTTKDM1AMAOANPC1
SCHEMBL23291451 0.85 KDM1A (0.45) SLC18A3MEN1KMT2AHTTKDM1A
SCHEMBL22804711 0.85 KDM1A (0.45) SLC18A3MEN1KMT2AHTTKDM1A
SCHEMBL6042361 0.85 NPC1 (0.48) SLC18A3MEN1KMT2AHTTKDM1A
SCHEMBL6041675 0.85 KDM1A (0.45) SLC18A3MEN1KMT2AHTTKDM1A
SCHEMBL6043859 0.85 MAPT (0.45) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL6041432 0.85 RAB9A (0.45) SLC18A3MEN1KMT2AHTTNPC1

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-4333899-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2024-03-13 EP disclosed
WO-2022235945-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2022-11-10 WO disclosed