SCHEMBL9779378

SCHEMBL9779378

O=C(O)CN(C(=O)C=NO)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
DAO P14920 1/20 0.33
HPGD P15428 2/20 0.32
CYP1A2 P05177 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A9 P48067 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
SCHEMBL7765615 0.78 POLB (0.39) TDP1POLBCHRM2CHRM1CHRM3
SCHEMBL6557201 0.76 CHRM2 (0.39) TDP1POLBCHRM2CHRM1CHRM3
SCHEMBL11454286 0.74 GSK3B (0.42) TDP1POLBCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9779525 0.73 POLB (0.39) TDP1POLBCHRM2CHRM1CHRM3
SCHEMBL1618720 0.70 CHRM2 (0.40) GSTO1TDP1POLBCHRM2CHRM1
SCHEMBL7158576 0.70 CHRM2 (0.40) GSTO1TDP1POLBCHRM2CHRM1
SCHEMBL28938837 0.69 CHRM2 (0.45) TDP1POLBCHRM2CHRM1CHRM3
SCHEMBL28808746 0.66 TSHR (0.40) TDP1POLBDAOHPGD
SCHEMBL9327532 0.66 TDP1 (0.38) TDP1POLBDAOHPGDCYP2C19
SCHEMBL8167151 0.65 CPA3 (0.49) HPGDALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015659-A Cognition activators to slow aging of the brain CASSELLA AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed