SCHEMBL9724908

SCHEMBL9724908

O=C(O)NC(=S)Nc1nncs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.59
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
AQP4 P55087 1/20 0.43
ESR2 Q92731 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL14096368 0.82 MIF (0.62) MIFTAAR1ALDH1A1POLBSMN1; SMN2
SCHEMBL20603903 0.81
SCHEMBL3989080 0.72
SCHEMBL10357728 0.70 ALDH1A1 (0.46) MIFTAAR1ALDH1A1HPGDHSD17B10
SCHEMBL2872394 0.69 POLB (0.58) TAAR1ALDH1A1HPGDHSD17B10POLB
SCHEMBL19974322 0.69 NPC1 (0.58) MIFTAAR1ALDH1A1HPGDHSD17B10
SCHEMBL19974323 0.69 NPC1 (0.58) MIFTAAR1ALDH1A1HPGDHSD17B10
SCHEMBL8356392 0.68 POLB (0.56) TAAR1ALDH1A1HPGDHSD17B10POLB
SCHEMBL1970389 0.68 POLB (0.56) TAAR1ALDH1A1HPGDHSD17B10POLB
SCHEMBL12649504 0.68 POLB (0.60) TAAR1ALDH1A1HPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093324-A Ribose-substituted ELI LILLY AND COMPANY (US) 1992-03-03 US disclosed
EP-0229501-B1 THIADIAZOLE ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1990-12-27 EP disclosed
EP-0392769-A1 Thiadiazole antiviral agents ELI LILLY AND COMPANY (US) 1990-10-17 EP disclosed
US-4835168-A Thiadiazole antiviral agents ELI LILLY AND COMPANY (US) 1989-05-30 US disclosed
EP-0229501-A1 Thiadiazole antiviral agents ELI LILLY AND COMPANY (US) 1987-07-22 EP disclosed