SCHEMBL20692016

SCHEMBL20692016

COC(=O)c1cccc(NN)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
ALDH1A1 P00352 4/20 0.55
CFTR P13569 1/20 0.55
KDM4E B2RXH2 5/20 0.53
ATM Q13315 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
GLA P06280 2/20 0.46
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 5/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL18950889 0.86 HSD17B10 (0.55) HSD17B10ALDH1A1CFTRKDM4EATM
SCHEMBL940016 0.86 KDM4E (0.68) HSD17B10ALDH1A1CFTRKDM4EATM
SCHEMBL29919844 0.85 KDM4E (0.71) HSD17B10ALDH1A1CFTRKDM4EATM
SCHEMBL2136524 0.85 KDM4E (0.71) HSD17B10ALDH1A1CFTRKDM4EATM
SCHEMBL2895994 0.85 ALDH1A1 (0.67) HSD17B10ALDH1A1CFTRKDM4EATM
Hydrochloric Acid SCHEMBL28488399 0.83 KDM4E (0.69) HSD17B10ALDH1A1CFTRKDM4EATM
Hydrochloric Acid SCHEMBL28498072 0.81 FFAR4 (0.55) HSD17B10ALDH1A1CFTRKDM4EATM
SCHEMBL25932317 0.81 PDK1 (0.56) HSD17B10ALDH1A1CFTRKDM4EATM
SCHEMBL12068032 0.80 ALDH1A1 (0.49) HSD17B10ALDH1A1CFTRKDM4EATM
SCHEMBL31589985 0.79 ALDH1A1 (0.71) HSD17B10ALDH1A1CFTRKDM4EATM

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-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 EP disclosed
WO-2019046498-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-07 WO disclosed
WO-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 WO disclosed