SCHEMBL29951386

SCHEMBL29951386

CCOc1nc(Cl)c(C=O)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 4/20 0.41
PSMD14 O00487 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.30

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
SCHEMBL3271932 0.79 MEN1 (0.53) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL859722 0.69
SCHEMBL29160274 0.69 POLB (0.33) KMT2AALDH1A1POLBGAA
SCHEMBL2554863 0.69 MAPT (0.57) KMT2AMEN1MAPTLMNAPSMD14
Ethylene SCHEMBL3310698 0.69 LMNA (0.36) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2561164 0.69 MAPT (0.64) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL3267616 0.69
SCHEMBL2563053 0.68 MEN1 (0.49) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL29956897 0.68 KMT2A (0.55) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL15332354 0.68 MEN1 (0.39) KMT2AMEN1MAPTLMNAPSMD14

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