SCHEMBL7829192

SCHEMBL7829192

COc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(OC(=O)O)N(Cc1ccc3c(c1)OCO3)S2(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.51
EDNRA P25101 6/20 0.51
MCHR1 Q99705 2/20 0.43
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7831616 0.89 EDNRB (0.49) EDNRBEDNRAL3MBTL1ALDH1A1HTT
SCHEMBL7824092 0.89 EDNRB (0.48) EDNRBEDNRAMCHR1LMNASMN1; SMN2
SCHEMBL7067033 0.88 EDNRB (0.55) EDNRBEDNRAMCHR1LMNANPC1
SCHEMBL7829208 0.87 ALDH1A1 (0.51) EDNRBEDNRAMCHR1LMNANPC1
SCHEMBL7826320 0.84 ALDH1A1 (0.49) EDNRBEDNRAMCHR1LMNANPC1
SCHEMBL7831437 0.84 HCRTR2 (0.49) EDNRBEDNRAMCHR1LMNASMN1; SMN2
SCHEMBL7825131 0.82 ALDH1A1 (0.46) EDNRBEDNRALMNANPC1HPGD
SCHEMBL7831152 0.82 EDNRB (0.45) EDNRBEDNRAMCHR1LMNAL3MBTL1
SCHEMBL7065399 0.81 EDNRB (0.55) EDNRBEDNRAMCHR1LMNANPC1
SCHEMBL7825784 0.81 ALDH1A1 (0.47) EDNRBEDNRAMCHR1LMNAHPGD

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
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed