SCHEMBL29134879

SCHEMBL29134879

CCc1cc(Br)ccc1C1(N)COC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.36
BACE1 P56817 11/20 0.36
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KDM1A O60341 2/20 0.31
RCOR1 Q9UKL0 2/20 0.31

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
SCHEMBL20200892 0.84 MAPK1 (0.33) L3MBTL1MAPK1BACE1DPP8DPP9
SCHEMBL19238955 0.82 MAPT (0.38) SMN1; SMN2LMNAHPGDMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL21072886 0.81 MAPT (0.37) SMN1; SMN2LMNAHPGDMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL19206185 0.81 PTGDR2 (0.35) LMNAMAPK1KDM4EALDH1A1
SCHEMBL29134369 0.78 POLB (0.36) HPGDL3MBTL1BACE1ALDH1A1POLB
Hydrochloric Acid SCHEMBL29134800 0.77 POLB (0.35) HPGDBACE1ALDH1A1POLB
SCHEMBL24698740 0.75 KDM1A (0.39) BACE1ALDH1A1KDM1A
SCHEMBL30016263 0.75 KDM1A (0.39) BACE1ALDH1A1KDM1A
SCHEMBL29134375 0.74 KDM4E (0.37) TSHRBACE1KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL21072882 0.74 DPP8 (0.37) SMN1; SMN2LMNAHPGDBACE1DPP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed