SCHEMBL25003013

SCHEMBL25003013

COc1ccc(COc2c(Cl)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
GPR119 Q8TDV5 7/20 0.48
TLR9 Q9NR96 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK8 P45983 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KDM1A O60341 1/20 0.44
GAA P10253 1/20 0.43
SLC2A1 P11166 1/20 0.43

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
SCHEMBL30885790 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTGPR119TLR9
SCHEMBL27237976 0.88 ALDH1A1 (0.48) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL5374374 0.84 STS (0.49) LMNAMAPTGPR119ALDH1A1MAPK8
SCHEMBL28714527 0.77 SMN1; SMN2 (0.56) SMN1; SMN2LMNAMAPTGPR119TLR9
SCHEMBL14653337 0.77 ALDH1A1 (0.58) SMN1; SMN2LMNAMAPTGPR119ALDH1A1
SCHEMBL14852499 0.76 MEN1 (0.56) SMN1; SMN2LMNAMAPTGPR119ALDH1A1
SCHEMBL30208139 0.76 MEN1 (0.56) SMN1; SMN2LMNAMAPTGPR119ALDH1A1
SCHEMBL246696 0.75 DRD2 (0.56) LMNAMAPTALDH1A1MAPK8MEN1
SCHEMBL5364792 0.75 STS (0.49) LMNAMAPTGPR119ALDH1A1MAPK8
SCHEMBL31219913 0.74 GPR119 (0.52) SMN1; SMN2LMNAMAPTGPR119TLR9

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-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed