SCHEMBL24467503

SCHEMBL24467503

Cc1ccc(NCCN(C)CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
KMT2A Q03164 2/20 0.58
PKM P14618 2/20 0.58
KAT2B Q92831 2/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PRSS1 P07477 4/20 0.52
HCAR3 P49019 4/20 0.52
KDM4E B2RXH2 1/20 0.52
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL19436464 0.94 PKM (0.65) LMNAKMT2APKMMAPTALDH1A1
SCHEMBL9725429 0.87 PKM (0.65) LMNAKMT2APKMMAPTALDH1A1
SCHEMBL29513025 0.83 KMT2A (0.76) LMNAKMT2APKMMAPTALDH1A1
SCHEMBL22118764 0.80 HCAR3 (0.78) LMNAKMT2APKMMAPTALDH1A1
SCHEMBL29513080 0.80 PRSS1 (0.77) LMNAKMT2APKMKAT2BMAPT
SCHEMBL9725410 0.80 ALDH1A1 (0.72) LMNAKMT2AKAT2BMAPTALDH1A1
SCHEMBL29513074 0.80 PRSS1 (0.75) LMNAKMT2APKMKAT2BMAPT
SCHEMBL112074 0.79 KMT2A (0.70) LMNAKMT2APKMMAPTALDH1A1
Hydrochloric Acid SCHEMBL28720505 0.78 KMT2A (0.69) LMNAKMT2APKMKAT2BMAPT
SCHEMBL5674224 0.78 HCAR3 (0.76) LMNAKMT2APKMMAPTALDH1A1

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
EP-3440076-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-06-01 EP disclosed