SCHEMBL8308076

SCHEMBL8308076

CCOC(=O)COC(=O)c1ccnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.55
▸ TSHR P16473 3/20 0.53
▸ LMNA P02545 1/20 0.50
▸ USP2 O75604 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ THRB P10828 1/20 0.45

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
SCHEMBL8303944 0.81 HTT (0.59) HPGDTSHRLMNAUSP2GAA
SCHEMBL8305644 0.81 USP2 (0.50) HPGDTSHRLMNAUSP2KMT2A
SCHEMBL8303721 0.80 KMT2A (0.50) HPGDTSHRLMNAUSP2KMT2A
SCHEMBL8308254 0.79 KMT2A (0.58) HPGDTSHRLMNAUSP2GAA
SCHEMBL8311179 0.75 KMT2A (0.47) TSHRLMNAUSP2KMT2AMEN1
SCHEMBL8305649 0.74 HTT (0.61) TSHRLMNAUSP2KMT2AMEN1
SCHEMBL8308788 0.72 USP2 (0.51) HPGDTSHRLMNAUSP2KMT2A
SCHEMBL8308077 0.71 KMT2A (0.52) TSHRLMNAUSP2GAAKMT2A
SCHEMBL28352182 0.70 HTT (0.77) HPGDTSHRLMNAGAAKMT2A
SCHEMBL8306789 0.70 LMNA (0.54) HPGDTSHRLMNAUSP2KMT2A

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
WO-2004078731-A1 QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2004-09-16 — — WO disclosed
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