SCHEMBL29956491

SCHEMBL29956491

CS(=O)(=O)c1ccccc1N1CCCC(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.55
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 1/20 0.45
AKR1C3 P42330 5/20 0.44
AKR1C1 Q04828 2/20 0.44
LMNA P02545 1/20 0.43
PKLR P30613 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL15331377 0.87 NOTUM (0.55) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL29954881 0.83 NOTUM (0.52) NOTUMALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL7444262 0.81 NOTUM (0.60) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL3436333 0.81 NOTUM (0.60) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL2555349 0.78 NOTUM (0.65) NOTUM
SCHEMBL29957383 0.78 NOTUM (0.60) NOTUM
SCHEMBL18503843 0.77 NOTUM (0.49) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL15330773 0.76 NOTUM (0.57) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL2558871 0.76 NPC1 (0.61) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL29950827 0.76 NOTUM (0.57) NOTUMALDH1A1KDM4EMEN1KMT2A

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed