SCHEMBL11210286

SCHEMBL11210286

NC(=O)C(S)c1nncs1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FBP1 P09467 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL11210269 0.81 ALDH1A1 (0.31) ALDH1A1HPGDHSD17B10FBP1TAAR1
SCHEMBL10642940 0.78 CA1 (0.32) CA1CA2CA4CA5ACA5B
SCHEMBL30598651 0.77 LMNA (0.36) CA1CA2CA4CA5ACA5B
SCHEMBL24253372 0.69
SCHEMBL11344359 0.65 L3MBTL1 (0.33) ALDH1A1
SCHEMBL23490979 0.64
SCHEMBL1279224 0.64
SCHEMBL23337415 0.64
SCHEMBL11221043 0.61
SCHEMBL8056588 0.60

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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed