SCHEMBL2923873

SCHEMBL2923873

O=S(=O)(Nc1cc2ccccc2nc1Cl)c1cc(F)c(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PIK3CA P42336 5/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
POLB P06746 1/20 0.43
ALPL P05186 1/20 0.42
EIF2AK3 Q9NZJ5 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL13539340 0.76 ALDH1A1 (0.64) RXFP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL1616338 0.74 SLC40A1 (0.48) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL10044530 0.69 RXFP1 (0.73) RXFP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL5291639 0.68 MEN1 (0.69) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL538070 0.68 KMT2A (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3764297 0.67 PIK3CD (0.76) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20644791 0.67 RXFP1 (0.68) RXFP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2055437 0.66 RECQL (0.63) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6383953 0.65 HTT (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7569823 0.64 PTPN1 (0.67) MEN1KMT2AGLO1TSHR

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
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed