SCHEMBL29951497

SCHEMBL29951497

OB(O)c1ccc(N2CCSCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.49
KMT2A Q03164 3/20 0.43
UBE2T Q9NPD8 1/20 0.37
DGAT1 O75907 1/20 0.37
MAPT P10636 3/20 0.34
ALDH1A1 P00352 5/20 0.34
ADK P55263 1/20 0.34
LMNA P02545 2/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 1/20 0.33
CNR1 P21554 1/20 0.33
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
AKR1C3 P42330 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL29377204 0.84 UBE2T (0.51) CNR2KMT2AUBE2TMAPTALDH1A1
SCHEMBL676085 0.84 UBE2T (0.51) CNR2KMT2AUBE2TMAPTALDH1A1
SCHEMBL29951531 0.83 UBE2T (0.50) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL29951844 0.83 UBE2T (0.50) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL3941056 0.83 UBE2T (0.50) CNR2UBE2TMAPTALDH1A1LMNA
SCHEMBL2562848 0.80 HTR3A (0.47) KMT2AALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL9147 0.80 ALDH1A1 (0.54) CNR2KMT2AMAPTALDH1A1LMNA
SCHEMBL29516634 0.80 PLD1 (0.49) KMT2AALDH1A1HPGDMEN1KDM4E
SCHEMBL29516406 0.80 HTR3A (0.47) KMT2AALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL723901 0.80 PLD1 (0.49) KMT2AALDH1A1HPGDMEN1KDM4E

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