SCHEMBL29951531

SCHEMBL29951531

OB(O)c1ccc(N2CCCCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR2 P34972 11/20 0.47
CNR1 P21554 1/20 0.47
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AOC3 Q16853 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3941056 1.00 UBE2T (0.50) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL29951844 1.00 UBE2T (0.50) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL29377204 0.98 UBE2T (0.51) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL676085 0.98 UBE2T (0.51) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL3643028 0.91 UBE2T (0.43) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL14167546 0.84 CNR2 (0.53) MAPTALDH1A1LMNACNR2KDM4E
SCHEMBL14167530 0.84 HTR3A (0.43) UBE2TALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26100489 0.84 CHRNB2 (0.44) UBE2T
SCHEMBL24092779 0.84 UBE2T (0.49) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL2562848 0.83 HTR3A (0.47) ALDH1A1KDM4ECYP1A2SMN1; SMN2

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