SCHEMBL28938490

SCHEMBL28938490

C=C(C#N)S(=O)(=O)c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
FBP1 P09467 11/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11152641 0.79 HPGD (0.47) KMT2ASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL742011 0.78 PKM (0.46) KMT2ASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL28764074 0.77 HPGD (0.41) KMT2ASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL13941252 0.75 KMT2A (0.45) KMT2ASMN1; SMN2POLBFBP1ALDH1A1
SCHEMBL18399883 0.73 KMT2A (0.50) KMT2AFBP1ALDH1A1MAPTHPGD
SCHEMBL14641990 0.73 KMT2A (0.50) KMT2ASMN1; SMN2FBP1ALDH1A1MAPT
Water SCHEMBL1506684 0.72 ALDH1A1 (0.55) KMT2ASMN1; SMN2FBP1ALDH1A1MAPT
Ethylene SCHEMBL28384942 0.71 ALDH1A1 (0.53) KMT2ASMN1; SMN2FBP1ALDH1A1MAPT
SCHEMBL136546 0.70 ALDH1A1 (0.57) KMT2ASMN1; SMN2FBP1ALDH1A1MAPT
SCHEMBL6832061 0.70 ALDH1A1 (0.57) KMT2ASMN1; SMN2FBP1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039175-B Method for preparing arylsulfonyl acrylonitrile 凯米拉公司 2024-02-20 CN disclosed
CN-115477611-A MRGPRX2 antagonists for the treatment of pseudoallergy 香港大学 2022-12-16 CN disclosed