SCHEMBL11544220

SCHEMBL11544220

CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MAPKAPK2 P49137 1/20 0.51
GAA P10253 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 3/20 0.48
YAP1 P46937 1/20 0.48

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 0.91 MAPKAPK2 (0.58) KMT2AMAPKAPK2GAAALDH1A1MAPK1
SCHEMBL10670035 0.88 MAPKAPK2 (0.53) KMT2AMAPKAPK2GAAALDH1A1MAPK1
SCHEMBL11544358 0.88 MAPKAPK2 (0.53) KMT2AMAPKAPK2GAAALDH1A1MAPK1
SCHEMBL11543575 0.88 MAPKAPK2 (0.53) KMT2AMAPKAPK2GAAALDH1A1MAPK1
SCHEMBL11540780 0.88 ALDH1A1 (0.57) KMT2AMAPKAPK2GAAALDH1A1MAPK1
SCHEMBL11542427 0.85 MAPT (0.51) KMT2AMAPKAPK2GAAALDH1A1MAPK1
SCHEMBL11541399 0.85 MAPKAPK2 (0.51) KMT2AMAPKAPK2GAAALDH1A1MAPK1
SCHEMBL11507819 0.84 RAD52 (0.58) KMT2AMAPKAPK2GAAALDH1A1CYP1A2
SCHEMBL11523029 0.83 HRH3 (0.50) KMT2AMAPKAPK2GAAALDH1A1MAPK1
SCHEMBL11507910 0.83 ALDH1A1 (0.52) KMT2AGAAALDH1A1CYP1A2CYP3A4

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