SCHEMBL29954781

SCHEMBL29954781

OB(O)c1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
AGTR1 P30556 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.34
PDK2 Q15119 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCB1 P08183 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2564080 1.00 SMN1; SMN2 (0.37) SMN1; SMN2POLBAGTR1ABCG2PDK2
SCHEMBL4888374 0.87 POLB (0.39) SMN1; SMN2POLBABCG2PDK2NPC1
SCHEMBL9257119 0.84 POLB (0.40) SMN1; SMN2POLBABCG2PDK2NPC1
SCHEMBL14169541 0.83 POLB (0.34) SMN1; SMN2POLBAGTR1
SCHEMBL30743612 0.79 ABCG2 (0.55) SMN1; SMN2POLBAGTR1ABCG2NPC1
SCHEMBL16370823 0.78 AGTR1 (0.43) SMN1; SMN2POLBAGTR1ABCG2NPC1
SCHEMBL9429714 0.78 ABCG2 (0.36) SMN1; SMN2POLBAGTR1ABCG2NPC1
SCHEMBL4990435 0.78 SMN1; SMN2 (0.36) SMN1; SMN2POLBABCG2NPC1RAB9A
SCHEMBL8402419 0.77 POLB (0.40) SMN1; SMN2POLBAGTR1ABCG2NPC1
SCHEMBL9033772 0.77 AGTR1 (0.41) SMN1; SMN2POLBAGTR1ABCG2NPC1

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