SCHEMBL21604411

SCHEMBL21604411

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 4/20 0.38
HSD17B3 P37058 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KCNN4 O15554 1/20 0.36
KCNA3 P22001 1/20 0.36
LMNA P02545 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
SCHEMBL23196776 0.90 KDM4E (0.44) KDM4EHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL19578541 0.87 KDM4E (0.56) KDM4EHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL20202310 0.86 TSHR (0.39) KDM4EHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL24240781 0.86 NOTUM (0.55) KDM4EHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL23196724 0.85 KDM4E (0.42) KDM4EHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL26224571 0.84 HSD17B3 (0.44) KDM4EHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL21065872 0.84 NOTUM (0.54) NOTUMHSD17B3KCNN4KCNA3LMNA
SCHEMBL24993714 0.83 HDAC3 (0.36) KDM4ETSHRALDH1A1KMT2ANOTUM
SCHEMBL23659145 0.82 MAPT (0.39) MAPTMTNR1AMTNR1BLMNA
SCHEMBL26217143 0.82 MAPT (0.39) KDM4EHTTSMN1; SMN2TSHRMAPT

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
WO-2021067458-A1 PROTEIN-MACROMOLECULE CONJUGATES AND METHODS OF USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-04-08 WO disclosed
WO-2019243672-A1 CONJUGATE GLYKOS BIOMEDICAL OY (FI) 2019-12-26 WO disclosed