SCHEMBL29956897

SCHEMBL29956897

O=Cc1sc(Oc2ccccc2)nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
MAPT P10636 5/20 0.55
LMNA P02545 4/20 0.55
PSMD14 O00487 1/20 0.55
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
NSD2 O96028 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HKDC1 Q2TB90 1/20 0.37

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
SCHEMBL2563053 0.87 MEN1 (0.49) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2559272 0.85 MEN1 (0.43) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2561164 0.84 MAPT (0.64) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2559484 0.84 MAPT (0.47) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2554863 0.84 MAPT (0.57) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2574517 0.84 MAPT (0.47) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2561182 0.83 MAPT (0.42) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2564634 0.81 KMT2A (0.51) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2560299 0.81 MEN1 (0.44) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL3739346 0.81 LMNA (0.41) 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