SCHEMBL9836053

SCHEMBL9836053

COC(=O)CC(C)(C=Cc1ccc2ccccc2n1)C(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.49
KDM4E B2RXH2 7/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
CYSLTR2 Q9NS75 3/20 0.47
CYSLTR1 Q9Y271 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL9835827 0.79 KDM4E (0.50) LMNAKDM4EMAPTALDH1A1CYSLTR2
SCHEMBL11549881 0.71 LMNA (0.62) LMNAKDM4EMAPTALDH1A1CYSLTR2
SCHEMBL9836044 0.69 CYSLTR2 (0.61) LMNAKDM4EMAPTALDH1A1CYSLTR2
SCHEMBL9836037 0.69 CYSLTR2 (0.61) LMNAKDM4EMAPTALDH1A1CYSLTR2
Chimanine B SCHEMBL4623624 0.68 LMNA (0.55) LMNAKDM4EMAPTALDH1A1CYSLTR2
SCHEMBL5093238 0.68 KDM4E (0.69) LMNAKDM4EMAPTALDH1A1CYSLTR2
SCHEMBL5093226 0.68 KDM4E (0.69) LMNAKDM4EMAPTALDH1A1CYSLTR2
SCHEMBL6070329 0.68 GAA (0.41) LMNAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL372572 0.67 LMNA (1.00) LMNAKDM4EMAPTALDH1A1CYSLTR2
SCHEMBL902324 0.67 LMNA (1.00) LMNAKDM4EMAPTALDH1A1CYSLTR2

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
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP claimed
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP disclosed