SCHEMBL6986429

SCHEMBL6986429

CC(C)(C)OC(=O)c1ccc2cccc(OC(=O)CN)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIM1 P11309 1/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL6986694 0.82 SLC7A5 (0.36) GAASMN1; SMN2L3MBTL1CYP1A2MEN1
SCHEMBL22451969 0.77 CYP1A2 (0.41) LMNAPIM1CYP1A2KMT2A
SCHEMBL22452004 0.76 KMT2A (0.41) SMN1; SMN2L3MBTL1PIM1CYP1A2MEN1
SCHEMBL24454416 0.76 KDM4E (0.38) CA1CA2LMNAPIM1CYP1A2
SCHEMBL6984597 0.74 KMT2A (0.42) LMNAGAASMN1; SMN2ALDH1A1TP53
SCHEMBL6981189 0.74 SLC7A5 (0.37) CA1CA2GAASMN1; SMN2MEN1
SCHEMBL6723581 0.73 ELANE (0.44) LMNACYP1A2CYP2C9MEN1ALDH1A1
SCHEMBL6984283 0.73 SLC7A5 (0.38) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6984974 0.72 SLC6A3 (0.40) CA1CA2LMNAALDH1A1HPGD
SCHEMBL6981261 0.72 SLC7A5 (0.37) L3MBTL1MEN1KMT2A

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-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed