SCHEMBL11148605

SCHEMBL11148605

CCn1nc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ CA12 O43570 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ DCTPP1 Q9H773 1/20 0.36
▸ PGK1 P00558 1/20 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
SCHEMBL11150628 0.85 TSHR (0.64) ALDH1A1LMNAKDM4ETSHRBLM
SCHEMBL11154823 0.85 POLB (0.46) ALDH1A1LMNAKDM4ETSHRBLM
SCHEMBL11149155 0.81 POLB (0.42) ALDH1A1LMNAKDM4ETSHRBLM
SCHEMBL11221088 0.81 TSHR (0.59) ALDH1A1LMNAKDM4ETSHRBLM
SCHEMBL11146591 0.79 LMNA (0.57) ALDH1A1LMNAKDM4ETSHRBLM
SCHEMBL9319737 0.76 ALDH1A1 (0.66) ALDH1A1LMNAKDM4ETSHRBLM
SCHEMBL11143530 0.75 ALDH1A1 (0.51) ALDH1A1LMNAKDM4ETSHRBLM
Hydrochloric Acid SCHEMBL11012829 0.75 ALDH1A1 (0.64) ALDH1A1LMNAKDM4ETSHRBLM
SCHEMBL11148179 0.71 POLB (0.43) ALDH1A1LMNAKDM4EPOLBMAPT
Cinoxacin SCHEMBL29471771 0.71 KDM4E (1.00) ALDH1A1LMNAKDM4ETSHRBLM

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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