SCHEMBL20202310

SCHEMBL20202310

C/C1=C/c2ccccc2CN(C(=O)CCC(=O)C(C)C)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
NOTUM Q6P988 4/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL21604411 0.86 KDM4E (0.41) TSHRNOTUMKDM4EHTTSMN1; SMN2
SCHEMBL24240781 0.84 NOTUM (0.55) TSHRNOTUMKDM4EHTTSMN1; SMN2
SCHEMBL19578541 0.83 KDM4E (0.56) TSHRNOTUMKDM4EHTTSMN1; SMN2
SCHEMBL21284596 0.82 HSD17B3 (0.47) TSHRNOTUMSMN1; SMN2LMNAMAPT
SCHEMBL22692370 0.81 LMNA (0.41) TSHRNOTUMLMNAMAPTHSD17B10
SCHEMBL26217143 0.81 MAPT (0.39) TSHRNOTUMKDM4EHTTSMN1; SMN2
SCHEMBL23659145 0.81 MAPT (0.39) LMNAMAPTHSD17B10
SCHEMBL21065872 0.80 NOTUM (0.54) NOTUMLMNA
SCHEMBL26946557 0.78 NOTUM (0.39) TSHRNOTUMKDM4EHTTSMN1; SMN2
SCHEMBL26224571 0.78 HSD17B3 (0.44) TSHRNOTUMKDM4EHTTSMN1; SMN2

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
WO-2018098390-A1 ALBUMIN-BINDING PSMA INHIBITORS CANCER TARGETED TECHNOLOGY LLC (US) 2018-05-31 WO disclosed