SCHEMBL22933540

SCHEMBL22933540

O=C(NC1CCCCC1)c1nc(-c2cncs2)nc2cc[nH]c12

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD38 P28907 19/20 0.73
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL28722376 0.84 CD38 (1.00) CD38
SCHEMBL22933531 0.84 CD38 (1.00) CD38
SCHEMBL22933165 0.81 CD38 (0.70) CD38KDM4ETSHRHTT
SCHEMBL23329143 0.81 CD38 (0.72) CD38KDM4ETSHRHTT
SCHEMBL29495219 0.79 CD38 (0.55) CD38
SCHEMBL22936262 0.78 CD38 (0.47) CD38
SCHEMBL22933148 0.77 CD38 (0.51) CD38
SCHEMBL22932659 0.76 CD38 (0.45) CD38
SCHEMBL22936248 0.76 CD38 (0.71) CD38
SCHEMBL28724438 0.74 CD38 (0.58) CD38KDM4E

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-2021021986-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 RIBON THERAPEUTICS, INC. (US) 2021-02-04 WO disclosed