SCHEMBL11145983

SCHEMBL11145983

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ ELANE P08246 5/20 0.43
▸ F2 P00734 3/20 0.43
▸ PLAU P00749 3/20 0.43
▸ CTRB1 P17538 3/20 0.43
▸ KDM6B O15054 2/20 0.43
▸ FTO Q9C0B1 2/20 0.43
▸ EGLN1 Q9GZT9 2/20 0.43
▸ HIF1AN Q9NWT6 2/20 0.43
▸ KDM5B Q9UGL1 2/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM3A Q9Y4C1 1/20 0.41
▸ CNR1 P21554 2/20 0.41

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
SCHEMBL11146570 0.87 LMNA (0.41) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL11151038 0.87 L3MBTL1 (0.42) L3MBTL1ALDH1A1ELANEF2PLAU
SCHEMBL11146591 0.87 LMNA (0.57) L3MBTL1LMNAALDH1A1KDM4ETSHR
SCHEMBL11153043 0.84 LMNA (0.46) L3MBTL1LMNAALDH1A1KDM4ETSHR
SCHEMBL11146999 0.84 L3MBTL1 (0.46) L3MBTL1LMNAALDH1A1ELANEF2
SCHEMBL961818 0.81 ELANE (0.52) L3MBTL1LMNAALDH1A1KDM4ETSHR
SCHEMBL11149094 0.78 CYP1A2 (0.39) L3MBTL1LMNAALDH1A1KDM4ETSHR
SCHEMBL11146995 0.78 MAPT (0.50) L3MBTL1LMNAELANECNR1ACHE
SCHEMBL11149177 0.76 ALDH1A1 (0.75) LMNAALDH1A1KDM4ETSHRBLM
SCHEMBL19236798 0.76 ELANE (0.48) L3MBTL1ELANEF2PLAUCTRB1

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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