SCHEMBL11734337

SCHEMBL11734337

CC(=O)N(C)C(=O)N=C=S

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
PMP22 Q01453 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
SCHEMBL11735051 0.78 TSHR (0.32) TSHRNFKB1THPOHSD17B10ALDH1A1
SCHEMBL2994249 0.77
SCHEMBL11737572 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5825136 0.67 LMNA (0.36) TSHRNFKB1THPOHSD17B10ALDH1A1
SCHEMBL992383 0.66
SCHEMBL7534846 0.62 TSHR (0.31) TSHRNFKB1THPOHSD17B10ALDH1A1
SCHEMBL9141931 0.62 TSHR (0.31) TSHRNFKB1THPOHSD17B10ALDH1A1
SCHEMBL30530530 0.60
SCHEMBL221704 0.60 CHRM1 (0.38) TSHRNFKB1THPOHSD17B10ALDH1A1
SCHEMBL27987120 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4009272-A ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1977-02-22 US disclosed
US-3983105-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-09-28 US disclosed
US-3978056-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3975375-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US disclosed
US-3974142-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3974141-A IMIDAZOLIDINYL-CARBAMIDOBACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3972869-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed
US-3972870-A IMIDAZOLIDINYL-CARBAMIDO-BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed