SCHEMBL15329856

SCHEMBL15329856

COc1ccc(-c2csc(C=O)c2)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 3/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EIF4E P06730 8/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C8 P10632 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2560754 0.82 EIF4E (0.46) SMN1; SMN2POLBKDM4EEIF4EANO1
SCHEMBL2562017 0.79 EIF4E (0.43) KDM4EEIF4EMEN1KMT2AANO1
SCHEMBL2557271 0.79 SMN1; SMN2 (0.77) SMN1; SMN2POLBKDM4ECYP1A2CYP2D6
SCHEMBL2554875 0.78 SMN1; SMN2 (0.55) SMN1; SMN2POLBKDM4ECYP1A2CYP2D6
SCHEMBL26768653 0.78 SMN1; SMN2 (1.00) SMN1; SMN2POLBKDM4ECYP1A2CYP2D6
SCHEMBL2554189 0.77 ERN1 (0.43) SMN1; SMN2POLBKDM4EERN1ALDH1A1
SCHEMBL29853676 0.77 SMN1; SMN2 (0.79) SMN1; SMN2POLBKDM4ECYP1A2CYP2D6
SCHEMBL7267474 0.77 SMN1; SMN2 (0.79) SMN1; SMN2POLBKDM4ECYP1A2CYP2D6
SCHEMBL15333039 0.77 NPC1 (0.50) SMN1; SMN2POLBKDM4ECYP2C9EIF4E
SCHEMBL5342329 0.76 SMN1; SMN2 (0.84) SMN1; SMN2POLBKDM4ECYP1A2CYP2D6

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 5 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed