SCHEMBL12450084

SCHEMBL12450084

Brc1ccc2c(c1)CCC(Cc1cnnn1Cc1ccccc1)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.38
▸ CDC7 O00311 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ FNTA P49354 5/20 0.34
▸ FNTB P49356 5/20 0.34
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ROCK2 O75116 1/20 0.32

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
SCHEMBL17079017 0.72 ACHE (0.47) MAPTKDM4EALDH1A1GAAACHE
SCHEMBL7691593 0.71 POLB (0.37) FNTAFNTBKMT2AMEN1
SCHEMBL6192228 0.69 PNMT (0.50) —
SCHEMBL6192806 0.66 PNMT (0.37) HTR2C
SCHEMBL27855037 0.66 HSD11B1 (0.56) HSD11B1CDC7SIRT2SIRT1LMNA
SCHEMBL10684249 0.64 MTNR1A (0.50) KMT2AMEN1
SCHEMBL4195851 0.64 HSD11B1 (0.61) HSD11B1CDC7SIRT2SIRT1KDM4E
SCHEMBL26613393 0.64 ESR1 (0.55) SIRT2HTR2CMAPTKMT2ALMNA
SCHEMBL2321696 0.63 HTR7 (0.38) MAPTKMT2ALMNAKDM4EMEN1
SCHEMBL12450086 0.63 PNMT (0.35) LMNA

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
WO-2011097946-A1 OXAZOLIDINONE COMPOUNDS CONTAINING RING-FUSED BICYCLIC RING, PREPARATION METHOD AND USE THEREOF 山东轩竹医药科技有限公司 (CN) 2011-08-18 — — WO disclosed
CN-102153547-A Oxazolidinone antibiotic containing parallel rings SHANDONG XUANZHU PHARMACEUTICAL CO LTD OWN 2011-08-17 — — CN disclosed
Send feedback