SCHEMBL25015657

SCHEMBL25015657

CCNC(=O)Cn1cc(C)nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NTRK1 P04629 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
SRC P12931 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
SCHEMBL22894411 0.85 GLA (0.39) GLAMAPK1ALDH1A1MEN1TSHR
SCHEMBL21984860 0.83 NTRK1 (0.41) GLAMAPK1GAAMEN1TSHR
SCHEMBL25701589 0.81 HDAC3 (0.44) L3MBTL1
SCHEMBL15495576 0.81 KDM4E (0.46) GLAALDH1A1MEN1TSHRKMT2A
SCHEMBL13986279 0.79 SMN1; SMN2 (0.56) ALDH1A1MEN1TSHRKMT2AL3MBTL1
SCHEMBL13167820 0.77 SRC (0.39) GLAMAPK1ALDH1A1MEN1TSHR
SCHEMBL908481 0.77 LMNA (0.43) GLAALDH1A1GAAKMT2AL3MBTL1
SCHEMBL11910527 0.77 SRC (0.41) GLAMAPK1ALDH1A1MEN1TSHR
SCHEMBL15495602 0.76 KMT2A (0.45) MAPK1ALDH1A1GAAMEN1TSHR
SCHEMBL15495578 0.76 KDM4E (0.41) GLAMAPK1ALDH1A1GAATSHR

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-2023011639-A1 OLIGOSACCHARIDE LINKER AND SIDE-CHAIN HYDROPHILIC FRAGMENT COMBINED GLYCOSITE-SPECIFIC ANTIBODY-DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-02-09 WO disclosed