SCHEMBL11445576

SCHEMBL11445576

O=[N+]([O-])c1ccccc1N1CCc2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 8/20 0.53
▸ ALDH1A1 P00352 7/20 0.53
▸ MAPT P10636 6/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ LMNA P02545 5/20 0.49
▸ L3MBTL1 Q9Y468 5/20 0.49
▸ POLB P06746 1/20 0.49
▸ SRD5A1 P18405 2/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ENPP2 Q13822 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43

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
SCHEMBL10623794 0.90 MAPK1 (0.60) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10625894 0.89 MAPK1 (0.62) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11464258 0.84 ALDH1A1 (0.61) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10620885 0.84 MAPT (0.53) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10625637 0.82 MAPK1 (0.57) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10621418 0.77 ROCK1 (0.52) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL10620858 0.76 EED (0.47) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10621375 0.76 EED (0.52) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10620782 0.76 MAPT (0.62) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10620800 0.76 MAPT (0.64) MAPK1ALDH1A1MAPTMEN1KMT2A

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-4186199-A Indolo-,1,2-dihydroindolo-, and 1,2,6,7-tetrahydroindolo [1,7-ab][1,5] benzodiazepines AMERICAN HOECHST CORPORATION (US) 1980-01-29 — — US disclosed
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