SCHEMBL11146570

SCHEMBL11146570

CCn1nc(C(=O)NCCO)c(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ ELANE P08246 7/20 0.41
▸ F2 P00734 4/20 0.41
▸ PLAU P00749 4/20 0.41
▸ CTRB1 P17538 4/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL11145983 0.87 L3MBTL1 (0.46) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL11146591 0.84 LMNA (0.57) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL11153043 0.84 LMNA (0.46) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL11154817 0.82 MAPK8 (0.47) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL11149094 0.82 CYP1A2 (0.39) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL11154823 0.81 POLB (0.46) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL11149155 0.81 POLB (0.42) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL961818 0.78 ELANE (0.52) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL11146995 0.78 MAPT (0.50) LMNAELANECNR1ACHECNR2
SCHEMBL11154687 0.78 LMNA (0.46) LMNAALDH1A1KDM4ETSHRBLM

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
US-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 — — US disclosed
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