SCHEMBL6368338

SCHEMBL6368338

C[C@@]1([C]=O)CCCN1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
NPC1 O15118 1/20 0.37
GPR183 P32249 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL7971534 0.80 MCOLN3 (0.51) PKMALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6430509 0.76 ITGB1 (0.38) ALDH1A1KMT2AMEN1
SCHEMBL5170741 0.70 MEN1 (0.46) PKMALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5171066 0.70 MEN1 (0.46) PKMALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14489550 0.70 ALDH1A1 (0.69) PKMPKLRALDH1A1KMT2AMEN1
SCHEMBL31315849 0.69 PKM (0.70) PKMPKLRALDH1A1KMT2AMEN1
SCHEMBL31684030 0.68 ALDH1A1 (0.67) PKMPKLRALDH1A1KMT2AMEN1
SCHEMBL4555427 0.68 ALDH1A1 (0.67) PKMPKLRALDH1A1KMT2AMEN1
SCHEMBL28308929 0.68 ALDH1A1 (0.67) PKMPKLRALDH1A1KMT2AMEN1
SCHEMBL21540450 0.67 MAPT (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2POLB

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-6903075-B1 Heterocyclic amide compounds as cell adhesion inhibitors MERCK & CO., INC. (US) 2005-06-07 US disclosed