SCHEMBL29952920

SCHEMBL29952920

OB(O)c1ccc(N2CCOCC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 8/20 0.47
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 4/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 3/20 0.47
CYP1A2 P05177 1/20 0.47
AKR1C3 P42330 1/20 0.47
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 3/20 0.44
TP53 P04637 2/20 0.42

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
SCHEMBL19859753 1.00 POLB (0.51) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL21484382 0.80 MAPT (0.45) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL29951749 0.75 ALDH1A1 (0.44) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL102532 0.74 LMNA (0.52) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL521049 0.74 PIK3CA (0.56) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL18256503 0.74 POLB (0.55) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL22502739 0.74 POLB (0.55) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL5198623 0.74 AKR1C3 (0.70) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL1735452 0.74 CHRNB2 (0.64) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL255401 0.74 MAPT (0.55) POLBMAPTALDH1A1MEN1KMT2A

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