SCHEMBL28867442

SCHEMBL28867442

COC(Cc1cnc(SC)nc1)OC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14451743 0.79 LMNA (0.38) LMNAKDM4EMAPTRECQLALDH1A1
SCHEMBL9908382 0.72 CA12 (0.37) KDM4EMAPTRECQLALDH1A1
SCHEMBL485902 0.70 LMNA (0.37) LMNAKDM4EMAPTRECQL
SCHEMBL4378015 0.70 MEN1 (0.36) LMNAKDM4EMAPTRECQLALDH1A1
SCHEMBL2222860 0.70 LMNA (0.34) LMNAKDM4EMAPTRECQL
SCHEMBL6477427 0.70 LOXL2 (0.33) LMNAKDM4EMAPTRECQL
Hydrochloric Acid SCHEMBL22468715 0.68 MEN1 (0.35) LMNAKDM4EMAPTRECQLALDH1A1
Hydrochloric Acid SCHEMBL6526925 0.68 KDM4E (0.33) LMNAKDM4EMAPTRECQL
SCHEMBL22468699 0.68 KDM4E (0.31) KDM4EMAPTRECQL
SCHEMBL20969949 0.68 MEN1 (0.33) LMNAKDM4EMAPTRECQLALDH1A1

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
CN-109121397-A Heterocyclic compound, especially 2- oxo -4,4,5,5,6,6,7,7- octahydro benzoxazoles derivatives and their purposes as antimicrobial compound 莱德克斯制药公共有限公司 2019-01-01 CN disclosed