SCHEMBL11146591

SCHEMBL11146591

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ ELANE P08246 5/20 0.47
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ F2 P00734 4/20 0.45
▸ PLAU P00749 4/20 0.45
▸ CTRB1 P17538 4/20 0.45
▸ CNR1 P21554 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ CNR2 P34972 2/20 0.45
▸ KLKB1 P03952 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDE4A P27815 2/20 0.40

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
SCHEMBL961818 0.91 ELANE (0.52) LMNAKDM4EALDH1A1TSHRBLM
SCHEMBL11153043 0.90 LMNA (0.46) LMNAKDM4EALDH1A1TSHRBLM
SCHEMBL11145983 0.87 L3MBTL1 (0.46) LMNAKDM4EALDH1A1TSHRBLM
SCHEMBL11146570 0.84 LMNA (0.41) LMNAKDM4EALDH1A1TSHRBLM
SCHEMBL11146995 0.83 MAPT (0.50) LMNAELANEMAPTMEN1KMT2A
SCHEMBL11143550 0.81 CYP1A2 (0.45) LMNAKDM4EALDH1A1TSHRBLM
SCHEMBL958123 0.80 ELANE (0.68) ALDH1A1ELANEMAPTF2PLAU
SCHEMBL11148605 0.79 ALDH1A1 (0.55) LMNAKDM4EALDH1A1TSHRBLM
SCHEMBL11147011 0.78 CNR2 (0.47) LMNAELANEMAPTMEN1KMT2A
SCHEMBL22151026 0.78 MAPT (0.52) LMNAELANEMAPTMEN1KMT2A

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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