SCHEMBL11525465

SCHEMBL11525465

[NH]C(=O)CSc1nnc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ ALPI P09923 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL6890807 0.83 KMT2A (0.49) KDM4EKMT2ATDP1
SCHEMBL3104623 0.71 LMNA (0.39) —
SCHEMBL18689403 0.65 MAPT (0.51) KMT2ATDP1
SCHEMBL16378624 0.64 CYP2C9 (0.37) —
SCHEMBL11520016 0.63 NPSR1 (0.32) —
SCHEMBL11521157 0.63 KDM4E (0.30) KDM4EALPLALPIALPGMPI
SCHEMBL11143093 0.63 ALDH1A1 (0.51) KDM4EKMT2A
SCHEMBL3735701 0.59 ALDH1A1 (0.49) KDM4EKMT2A
SCHEMBL16186178 0.57 — —
SCHEMBL1170309 0.57 FFAR1 (0.68) KMT2ATDP1

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
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 — — US disclosed
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