SCHEMBL31687482

SCHEMBL31687482

O=C(Nc1cccc(C2OCCO2)c1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
RAB9A P51151 4/20 0.50
MAOB P27338 3/20 0.50
NPC1 O15118 2/20 0.50
HTR1F P30939 1/20 0.50
HPGD P15428 1/20 0.50
KDM1A O60341 4/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 3/20 0.48
SNCA P37840 1/20 0.48

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
SCHEMBL2358354 0.80 MEN1 (1.00) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL5362260 0.77 ALDH1A1 (0.51) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL17270202 0.75 ACKR3 (0.52) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL4911123 0.74 BAZ1A (0.60) MEN1KMT2ARAB9A
SCHEMBL22699737 0.73 MEN1 (0.84) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL21133085 0.73 MEN1 (0.78) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL1814173 0.73 KCNK3 (0.82) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL21620313 0.73 MEN1 (0.78) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL3146770 0.73 MEN1 (0.78) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL148104 0.73 MEN1 (0.78) MEN1KMT2AKCNK3KCNK9RAB9A

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-4620949-A1 ACKR3 MODULATORS FOR CARDIOVASCULAR OR ANTIPLATELET THERAPY Eberhard Karls Universität Tübingen (Medizinische Fakultät) (DE) 2025-09-24 EP disclosed