SCHEMBL9813294

SCHEMBL9813294

CN(C)CCCNNC(N)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
CYP1A2 P05177 1/20 0.35
HRH2 P25021 1/20 0.35
PAOX Q6QHF9 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.33
DNM1 Q05193 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PRMT3 O60678 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
SCHEMBL10855029 0.87 CA1 (0.43) TDP1CA1CA2CA12CA9
SCHEMBL17181018 0.79 PAOX (0.43) TDP1ALDH1A1HSD17B10HPGDCYP2C9
SCHEMBL29244184 0.79 ALDH1A1 (0.44) TDP1ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL532919 0.78 TDP1 (0.45) TDP1CA1CA2CA12CA9
Bromide SCHEMBL10340652 0.78 HRH4 (0.46) TDP1ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL721193 0.76
SCHEMBL41078 0.74 ALDH1A1 (0.40) CA1CA2CA12CA9ALDH1A1
SCHEMBL7864541 0.74 PAOX (0.46) TDP1ALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL28810241 0.74 ALDH1A1 (0.53) TDP1CA2CA12CA9ALDH1A1
SCHEMBL6859040 0.72 PAOX (0.48) TDP1ALDH1A1HPGDPAOXTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191948-B1 SILVER HALIDE PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1991-07-31 EP disclosed
US-4696894-A Silver halide photographic materials containing 1,3,4-thiadiazole derivatives having a polar substituent FUJI PHOTO FILM CO., LTD. (JP) 1987-09-29 US disclosed
EP-0191948-A2 Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1986-08-27 EP disclosed