SCHEMBL25870547

SCHEMBL25870547

CCOC(=O)C(NCCN)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.70
SLC22A1 O15245 1/20 0.51
MMP8 P22894 2/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PIN1 Q13526 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MDM4 O15151 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MDM2 Q00987 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL23542105 0.88 KMT2A (0.60) SMN1; SMN2SLC22A1KMT2AMEN1LMNA
SCHEMBL21275416 0.85 SMN1; SMN2 (0.84) SMN1; SMN2SLC22A1MMP8KMT2AMEN1
SCHEMBL27574237 0.84 SMN1; SMN2 (0.68) SMN1; SMN2SLC22A1MMP8KMT2AMEN1
SCHEMBL21275440 0.84 SMN1; SMN2 (0.68) SMN1; SMN2SLC22A1MMP8KMT2AMEN1
SCHEMBL1632366 0.82 SMN1; SMN2 (0.67) SMN1; SMN2SLC22A1MMP8KMT2AMEN1
SCHEMBL14306758 0.82 SMN1; SMN2 (0.75) SMN1; SMN2SLC22A1MMP8KMT2AMEN1
SCHEMBL3005469 0.81 SMN1; SMN2 (0.73) SMN1; SMN2SLC22A1MMP8KMT2AMEN1
SCHEMBL4047441 0.81 SMN1; SMN2 (0.60) SMN1; SMN2MMP8KMT2AMEN1PIN1
SCHEMBL29057360 0.81 SMN1; SMN2 (0.47) SMN1; SMN2SLC22A1KMT2AMEN1KDM4E
SCHEMBL27884383 0.81 SMN1; SMN2 (0.47) SMN1; SMN2SLC22A1KMT2AMEN1KDM4E

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-2023137634-A1 TRICYCLIC COMPOUND, PREPARATION THEREFOR, PHARMACEUTICAL COMPOSITION AND USE 上海奕拓医药科技有限责任公司 2023-07-27 WO disclosed