SCHEMBL9404871

SCHEMBL9404871

NCCc1ccc(OC(=O)c2cccnc2)c(OC(=O)c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.52
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.51
HSP90AA1 P07900 2/20 0.48
CCR6 P51684 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AGTR1 P30556 1/20 0.47

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
Hydrochloric Acid SCHEMBL9404915 0.99 KMT2A (0.51) KMT2AHSD17B10MAPK1HSP90AA1CCR6
SCHEMBL9404994 0.83 KMT2A (0.53) KMT2AMAPK1L3MBTL1LMNACYP1A2
Hydrochloric Acid SCHEMBL16049971 0.82 KMT2A (0.52) KMT2AMAPK1L3MBTL1LMNACYP1A2
Hydrochloric Acid SCHEMBL9586335 0.82 LMNA (0.54) KMT2AHSD17B10MAPK1L3MBTL1LMNA
SCHEMBL9404972 0.82 MAPK1 (0.57) KMT2AHSD17B10MAPK1HSP90AA1CCR6
SCHEMBL9404946 0.81 MAPK1 (0.56) KMT2AHSD17B10MAPK1HSP90AA1L3MBTL1
SCHEMBL9404951 0.81 MAPK1 (0.56) KMT2AHSD17B10MAPK1HSP90AA1CCR6
SCHEMBL9405005 0.81 PKM (0.62) KMT2AL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11637183 0.81 KMT2A (0.51) KMT2AHSD17B10MAPK1HSP90AA1CCR6
SCHEMBL9405029 0.81 KMT2A (0.44) KMT2AMAPK1LMNAALDH1A1CYP1A2

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-0431942-B1 Percutaneously absorbable pharmaceutical preparation containing dopamine derivative SANSHO CO (JP) 1994-03-23 EP disclosed
US-5246949-A And lactic acid esters, treatment of hypotension and cardiac circulatory insufficiency SANSHO CO., LTD. (JP) 1993-09-21 US disclosed
EP-0431942-A2 Percutaneously absorbable pharmaceutical preparation containing dopamine derivative SANSHO CO., LTD. (JP) 1991-06-12 EP disclosed