SCHEMBL29388255

SCHEMBL29388255

Clc1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 1.00
PDE5A O76074 5/20 1.00
RAD52 P43351 1/20 0.71
KMT2A Q03164 2/20 0.69
LMNA P02545 2/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
MAPT P10636 1/20 0.69
PKM P14618 1/20 0.69
UBE2N P61088 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
RCE1 Q9Y256 1/20 0.69
MEN1 O00255 1/20 0.65
GBA1 P04062 1/20 0.65
ATM Q13315 1/20 0.65
BCHE P06276 4/20 0.63
ACHE P22303 4/20 0.63
GALR3 O60755 2/20 0.59
NR2F2 P24468 2/20 0.59
EGFR P00533 1/20 0.59

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
SCHEMBL3113122 1.00 APP (1.00) APPPDE5ARAD52KMT2ALMNA
SCHEMBL3106597 0.92 APP (0.85) APPPDE5ARAD52KMT2ALMNA
SCHEMBL3782735 0.90 APP (0.81) APPPDE5ARAD52KMT2ALMNA
SCHEMBL3121152 0.90 APP (0.81) APPPDE5ARAD52KMT2ALMNA
SCHEMBL3113251 0.90 APP (0.81) APPPDE5ARAD52KMT2ALMNA
SCHEMBL3108304 0.87 APP (0.76) APPPDE5ARAD52KMT2ALMNA
SCHEMBL21055802 0.86 PDE5A (0.76) APPPDE5ARAD52KMT2ALMNA
SCHEMBL3638414 0.86 APP (0.74) APPPDE5ARAD52KMT2ALMNA
SCHEMBL2262120 0.86 APP (0.74) APPPDE5ARAD52KMT2ALMNA
SCHEMBL1685041 0.86 APP (0.74) APPPDE5ALMNAALDH1A1NR2F2

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
WO-2022036063-A2 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATIVE DISEASES THE BROAD INSTITUTE, INC. (US) 2022-02-17 WO disclosed