SCHEMBL9724804

SCHEMBL9724804

N#CN=c1scnn1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC9A1 P19634 1/20 0.34
GRM2 Q14416 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL10357861 1.00 TSHR (0.39) TSHRCHRNB2CHRNA4RECQLPOLB
SCHEMBL9724931 0.70 TSHR (0.45) TSHRRECQLCYP19A1ALDH1A1HPGD
Bromide SCHEMBL3923746 0.69 TSHR (0.44) TSHRRECQLCYP19A1ALDH1A1HPGD
SCHEMBL164239 0.62 TSHR (0.59) TSHRRECQLPOLBALDH1A1HPGD
SCHEMBL4352982 0.62 TSHR (0.51) TSHRRECQLPOLBALDH1A1HPGD
SCHEMBL9343574 0.61 ALDH1A1 (0.47) TSHRCHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL9343576 0.61 ALDH1A1 (0.47) TSHRCHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL25003079 0.61 MEN1 (0.66) TSHRALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL9818810 0.61 MEN1 (0.66) TSHRALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL9818814 0.61 MEN1 (0.66) TSHRALDH1A1TDP1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229501-B1 THIADIAZOLE ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1990-12-27 EP claimed
EP-0229501-A1 Thiadiazole antiviral agents ELI LILLY AND COMPANY (US) 1987-07-22 EP claimed
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