SCHEMBL9461069

SCHEMBL9461069

CCOc1cc(C)nc(CC(=O)OC)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 4/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9461045 0.86 ALDH1A1 (0.48) HTTSMN1; SMN2KDM4ELMNAUSP2
SCHEMBL9461234 0.81 ALDH1A1 (0.47) HTTSMN1; SMN2KDM4ELMNAPOLB
SCHEMBL1923718 0.81 KDM4E (0.49) HTTSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL1922940 0.76 KDM4E (0.45) SMN1; SMN2KDM4ELMNAPOLBALDH1A1
SCHEMBL8686002 0.75 CYP1A2 (0.50) SMN1; SMN2KDM4ELMNAUSP2ALDH1A1
SCHEMBL10576118 0.74 SMN1; SMN2 (0.45) HTTSMN1; SMN2LMNAUSP2POLB
SCHEMBL1921603 0.74 THRB (0.45) HTTSMN1; SMN2MAPK1TSHRALDH1A1
SCHEMBL1719546 0.74 MAPK8 (0.41) HTTKDM4EMAPK1TSHRALDH1A1
SCHEMBL11074441 0.72 SMN1; SMN2 (0.44) HTTSMN1; SMN2LMNAUSP2POLB
SCHEMBL12479132 0.72 KDM4E (0.43) HTTSMN1; SMN2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5186736-A Pre- and postemergence HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5053072-A HETEROCYCLIC N-ACYLSULFONAMIDES, AND THEIR USE AS HERBICIDES OR GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed