SCHEMBL11837546

SCHEMBL11837546

CCC(N1CCOCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.61
▸ TSHR P16473 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 6/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ ALOX12 P18054 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CASP1 P29466 2/20 0.36
▸ USP2 O75604 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
SCHEMBL11830375 0.88 KDM4E (0.46) KDM4ETSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11837862 0.87 KDM4E (0.45) KDM4ETSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11832562 0.85 KDM4E (0.55) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL11835066 0.77 KDM4E (0.65) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL11832922 0.77 KDM4E (0.72) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL11830991 0.77 KDM4E (0.47) KDM4ETSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11837543 0.76 KDM4E (0.70) KDM4ETSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11834681 0.76 KDM4E (0.47) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL11842018 0.75 KDM4E (0.69) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL11846471 0.75 KMT2A (0.50) KDM4ETSHRMEN1KMT2AMAPT

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-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US claimed
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