SCHEMBL9601574

SCHEMBL9601574

CN(C)CCn1nnnc1CS

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 12/20 0.35
UBE2M P61081 11/20 0.35
LMNA P02545 2/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR2C P28335 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
SCHEMBL18402647 0.83 DCUN1D1 (0.39) DCUN1D1UBE2MLMNAKMT2AHTR1A
SCHEMBL9994132 0.79 LMNA (0.39) DCUN1D1UBE2MLMNAKMT2A
SCHEMBL7038410 0.77 DCUN1D1 (0.36) DCUN1D1UBE2MLMNAKMT2AHTR1A
SCHEMBL912644 0.77 UBE2M (0.36) DCUN1D1UBE2MLMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL9662206 0.76 DCUN1D1 (0.39) DCUN1D1UBE2MLMNAKMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL10363130 0.76 UBE2M (0.36) DCUN1D1UBE2MLMNAKMT2AALDH1A1
SCHEMBL7430903 0.76 UBE2M (0.36) DCUN1D1UBE2MLMNAKMT2AALDH1A1
SCHEMBL13438298 0.75 MAPK1 (0.41) DCUN1D1UBE2MLMNAKMT2A
SCHEMBL4609640 0.73 UBE2M (0.36) DCUN1D1UBE2MLMNAKMT2A
SCHEMBL9375491 0.72 UBE2M (0.36) DCUN1D1UBE2MLMNAKMT2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed