SCHEMBL11545265

SCHEMBL11545265

O=C(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.51
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
STAT3 P40763 1/20 0.48
GAA P10253 4/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
ATM Q13315 1/20 0.46
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11544358 0.91 MAPKAPK2 (0.53) MAPKAPK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11540780 0.91 ALDH1A1 (0.57) MAPKAPK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11541925 0.89 MAPKAPK2 (0.58) MAPKAPK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11546588 0.88 L3MBTL1 (0.47) MAPKAPK2MEN1KMT2AGAAALDH1A1
SCHEMBL11541399 0.88 MAPKAPK2 (0.51) MAPKAPK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11541437 0.88 GAA (0.49) MAPKAPK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10670035 0.86 MAPKAPK2 (0.53) MAPKAPK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11543575 0.86 MAPKAPK2 (0.53) MAPKAPK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11542427 0.84 MAPT (0.51) MAPKAPK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11544220 0.82 KMT2A (0.53) MAPKAPK2MAPTSMN1; SMN2MEN1KMT2A

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