SCHEMBL29011602

SCHEMBL29011602

C=CC(=O)Oc1c(NS(=O)(=O)c2ccc(C)cc2)cccc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.51
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.48
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
NOD2 Q9HC29 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL29011609 0.87 FFAR4 (0.54) FFAR4HTTMAPTMEN1KMT2A
SCHEMBL29011616 0.85 FFAR4 (0.49) FFAR4HTTMAPTMEN1KMT2A
SCHEMBL29011594 0.85 FFAR4 (0.49) FFAR4HTTMAPTMEN1KMT2A
SCHEMBL9568608 0.84 LMNA (0.54) FFAR4HTTMAPTMEN1KMT2A
SCHEMBL9568712 0.76 TCF4 (0.58) FFAR4MAPTMEN1KMT2ALMNA
SCHEMBL5955976 0.76 POLB (0.58) FFAR4HTTMAPTMEN1KMT2A
SCHEMBL7572319 0.76 POLB (0.68) HTTMAPTMEN1KMT2APOLB
SCHEMBL24810564 0.75 NFE2L2 (0.47) MAPTMEN1KMT2APOLBLMNA
SCHEMBL28422486 0.75 KMT2A (0.43) HTTMAPTMEN1KMT2ALMNA
SCHEMBL9568785 0.74 PTGDR2 (0.48) HTTMAPTMEN1KMT2APOLB

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
CN-115028581-B Preparation method of hydrogenated phenanthridine derivative and application of hydrogenated phenanthridine derivative in preparation of antitumor drugs 常州大学 2024-04-30 CN disclosed
CN-115028581-A Preparation method of hydrogenated phenanthridine derivatives and application of hydrogenated phenanthridine derivatives in preparation of antitumor drugs 常州大学 2022-09-09 CN disclosed