SCHEMBL24716617

SCHEMBL24716617

CC(C)(C)OC(=O)N1CCOCC1C(=O)NN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCN4A P35499 1/20 0.35
F2 P00734 1/20 0.35
F9 P00740 1/20 0.35
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
F7 P08709 1/20 0.35
PRSS3 P35030 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL24716881 1.00 SMN1; SMN2 (0.45) SMN1; SMN2USP2RECQLNPC1HSD17B10
SCHEMBL15746865 1.00 SMN1; SMN2 (0.45) SMN1; SMN2USP2RECQLNPC1HSD17B10
SCHEMBL23458178 0.84 SMN1; SMN2 (0.46) SMN1; SMN2USP2RECQLNPC1HSD17B10
SCHEMBL3511572 0.84 SMN1; SMN2 (0.49) SMN1; SMN2USP2RECQLNPC1HSD17B10
SCHEMBL16604796 0.84 SMN1; SMN2 (0.49) SMN1; SMN2USP2RECQLNPC1HSD17B10
SCHEMBL16604806 0.84 SMN1; SMN2 (0.49) SMN1; SMN2USP2RECQLNPC1HSD17B10
SCHEMBL17314784 0.84 SMN1; SMN2 (0.43) SMN1; SMN2USP2RECQLNPC1HSD17B10
SCHEMBL17314782 0.84 SMN1; SMN2 (0.43) SMN1; SMN2USP2RECQLNPC1HSD17B10
SCHEMBL2737895 0.83 SMN1; SMN2 (0.47) SMN1; SMN2USP2RECQLNPC1HSD17B10
SCHEMBL15561495 0.83 SMN1; SMN2 (0.47) SMN1; SMN2USP2RECQLNPC1HSD17B10

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
CN-117120450-A Thienopyrrole compounds 吉利德科学公司 2023-11-24 CN disclosed
WO-2022221642-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-20 WO disclosed