SCHEMBL11630652

SCHEMBL11630652

CCOC(=O)C(=O)Nc1cccc(N2CCOCC2)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ALDH1A1 P00352 9/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 3/20 0.51
GPR35 Q9HC97 2/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 3/20 0.45
MCOLN3 Q8TDD5 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNQ2 O43526 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL11485068 0.90 ALDH1A1 (0.56) LMNAALDH1A1L3MBTL1GAAKDM4E
SCHEMBL11485703 0.89 L3MBTL1 (0.55) LMNAALDH1A1L3MBTL1GAAKDM4E
SCHEMBL11635310 0.86 ALDH1A1 (0.53) LMNAALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL11633900 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1GAAKDM4EHPGD
SCHEMBL9511582 0.81 ALDH1A1 (0.56) LMNAALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL9510364 0.80 ALDH1A1 (0.53) LMNAALDH1A1L3MBTL1GAAKDM4E
SCHEMBL11493819 0.77 GAA (0.65) LMNAALDH1A1L3MBTL1GAAKDM4E
SCHEMBL11499032 0.77 KDM4E (0.53) LMNAALDH1A1L3MBTL1GAAKDM4E
SCHEMBL11483590 0.76 GAA (0.64) LMNAALDH1A1L3MBTL1GAAKDM4E
SCHEMBL11631534 0.76 GAA (0.64) LMNAALDH1A1L3MBTL1GAAKDM4E

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-4087606-A ANTIALLERGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-02 US disclosed
US-4054591-A ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed