SCHEMBL9879146

SCHEMBL9879146

CC(O)S(=O)(=O)c1cc(N)ccc1NCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
MAPT P10636 3/20 0.36
SYK P43405 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
RECQL P46063 2/20 0.36
CASP6 P55212 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELAVL1 Q15717 1/20 0.36
NSD2 O96028 1/20 0.35
APEX1 P27695 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL9853650 0.92 RAPGEF4 (0.38) ALDH1A1SMN1; SMN2RAPGEF4MAPTSYK
SCHEMBL9878800 0.86 RAPGEF4 (0.38) ALDH1A1RAPGEF4MAPTKDM4EPOLB
SCHEMBL10576785 0.82 RAPGEF4 (0.55) CYP19A1ALDH1A1SMN1; SMN2RAPGEF4MAPT
SCHEMBL9877841 0.81 L3MBTL1 (0.45) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL9877903 0.80 ALDH1A1 (0.59) CYP19A1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL9879136 0.80 CYP19A1 (0.42) CYP19A1ALDH1A1SMN1; SMN2RAPGEF4MAPT
SCHEMBL9350920 0.77 RAPGEF4 (0.42) ALDH1A1RAPGEF4MAPTKDM4EPOLB
SCHEMBL9878469 0.77 KMT2A (0.42) ALDH1A1SMN1; SMN2MAPTSYKKDM4E
SCHEMBL9878782 0.76 RAPGEF4 (0.41) ALDH1A1RAPGEF4MAPTKDM4EPOLB
SCHEMBL17774691 0.74 POLB (0.41) ALDH1A1RAPGEF4MAPTKDM4EPOLB

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-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed