SCHEMBL29517871

SCHEMBL29517871

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(SCC(=O)O)n2Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.76
PIK3CG P48736 1/20 0.76
PLD3 Q8IV08 1/20 0.73
THRB P10828 1/20 0.61
ALDH1A1 P00352 7/20 0.61
MAPT P10636 3/20 0.61
HTT P42858 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
TSHR P16473 2/20 0.60
MAPK1 P28482 2/20 0.59
LMNA P02545 1/20 0.58
HPGD P15428 2/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TP53 P04637 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL16133944 0.86 BRAF (1.00) BRAFPIK3CGPLD3THRBALDH1A1
SCHEMBL17522954 0.85 BRAF (0.81) BRAFPIK3CGTHRBALDH1A1MAPT
SCHEMBL25240049 0.80 BRAF (0.66) BRAFPIK3CGTHRBALDH1A1MAPT
SCHEMBL14285657 0.78 ALDH1A1 (0.78) BRAFPIK3CGPLD3ALDH1A1MAPT
SCHEMBL23493869 0.77 PLD3 (0.58) PLD3THRBALDH1A1MAPTHTT
SCHEMBL17165784 0.75 POLB (0.69) BRAFPIK3CGTHRBALDH1A1MAPT
SCHEMBL25210999 0.75 ALDH1A1 (0.76) BRAFPIK3CGTHRBALDH1A1MAPT
SCHEMBL8291374 0.74 PLD3 (0.81) BRAFPIK3CGPLD3ALDH1A1MAPT
SCHEMBL3372363 0.74 ALDH1A1 (0.60) BRAFPIK3CGPLD3THRBALDH1A1
SCHEMBL16029594 0.72 MAOA (0.60) BRAFPLD3THRBALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 WO claimed
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 WO disclosed