SCHEMBL11540780

SCHEMBL11540780

O=C(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HTT P42858 2/20 0.57
PKM P14618 1/20 0.57
MAPKAPK2 P49137 1/20 0.54
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
STAT3 P40763 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
RAD52 P43351 1/20 0.48
GFER P55789 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CASP6 P55212 1/20 0.47

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
SCHEMBL11541925 0.95 MAPKAPK2 (0.58) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL10670035 0.91 MAPKAPK2 (0.53) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL11544358 0.91 MAPKAPK2 (0.53) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL11543575 0.91 MAPKAPK2 (0.53) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL11545265 0.91 MAPKAPK2 (0.51) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL11542427 0.89 MAPT (0.51) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL11541437 0.89 GAA (0.49) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL11541399 0.89 MAPKAPK2 (0.51) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL11544220 0.88 KMT2A (0.53) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL11542321 0.87 L3MBTL1 (0.50) ALDH1A1GAAKDM4EMAPKAPK2MAPT

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-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed