SCHEMBL9602798

SCHEMBL9602798

O=C(O)CCn1nnnc1CS

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.40
HSD11B1 P28845 6/20 0.38
KMO O15229 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL28706456 0.82 EGLN3 (0.41) EGLN3NAALAD2HSD11B1KMOKDM4C
SCHEMBL10363667 0.81 KDM4C (0.54) NAALAD2KDM4CMAPK1ALDH1A1HPGD
SCHEMBL28711298 0.79 NAALAD2 (0.43) EGLN3NAALAD2HSD11B1KMOKDM4C
SCHEMBL829121 0.78 EGLN3 (0.44) EGLN3HSD11B1KMOKDM4CMAPK1
SCHEMBL8957670 0.74 EGLN3 (0.44) EGLN3HSD11B1KMOKDM4CMAPK1
SCHEMBL28711074 0.74 MAPK1 (0.50) EGLN3HSD11B1KMOMAPK1ALDH1A1
SCHEMBL17153786 0.73 KMT2A (0.46) EGLN3HSD11B1KMOMAPK1ALDH1A1
SCHEMBL28691023 0.72 NAALAD2 (0.43) NAALAD2KDM4CMAPK1ALDH1A1CYP1A2
SCHEMBL9331808 0.70 LMNA (0.43) EGLN3HSD11B1KMOMAPK1ALDH1A1
SCHEMBL9331809 0.70 KMT2A (0.67) EGLN3HSD11B1KMOMAPK1ALDH1A1

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