SCHEMBL29952857

SCHEMBL29952857

OB(O)c1ccc2c(cnn2Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
SCN9A Q15858 1/20 0.45
ERBB2 P04626 7/20 0.43
EGFR P00533 5/20 0.43
BRD4 O60885 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
SLC5A2 P31639 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
RAF1 P04049 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL12419297 1.00 RECQL (0.60) RECQLSCN9AERBB2EGFRBRD4
SCHEMBL29955349 0.82 RECQL (0.69) RECQLBRD4MEN1CYP1A2RAB9A
SCHEMBL29953781 0.82 RECQL (0.63) RECQLERBB2EGFRBRD4CYP1A2
SCHEMBL17602113 0.81 RECQL (0.66) RECQLSCN9AERBB2EGFRBRD4
SCHEMBL22533582 0.80 PLA2G4A (0.45) RECQLSCN9AERBB2EGFRKMO
SCHEMBL29424876 0.80 PLA2G4A (0.45) RECQLSCN9AERBB2EGFRKMO
SCHEMBL4951910 0.79 RECQL (0.64) RECQLSCN9AERBB2EGFRBRD4
SCHEMBL4251433 0.79 HTR2A (0.39) SLC5A2CA1CA2KMO
SCHEMBL870390 0.78 RECQL (0.66) RECQLSCN9AERBB2EGFRBRD4
SCHEMBL1129158 0.78 RECQL (0.66) RECQLSCN9AERBB2EGFRBRD4

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