SCHEMBL28684693

SCHEMBL28684693

O=Cc1cn(C2CC2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
MAT2A P31153 1/20 0.40
HTR6 P50406 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.38
TDP1 Q9NUW8 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
ERN1 O75460 1/20 0.35
MAPT P10636 1/20 0.34
AVPR1A P37288 1/20 0.34
MAPK8 P45983 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NTRK1 P04629 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29576713 0.83 PTPN1 (0.40) PTPN1PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL22774034 0.83 PTPN1 (0.40) PTPN1PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL22774092 0.80 MAP3K5 (0.34) PIK3CG
SCHEMBL29576915 0.78 ALDH1A1 (0.40) PIK3CDPIK3R1PIK3CAPIK3CGMAPT
SCHEMBL22774058 0.78 ALDH1A1 (0.40) PIK3CDPIK3R1PIK3CAPIK3CGMAPT
SCHEMBL5908567 0.77 ALDH1A1 (0.43) PIK3CDPIK3R1PIK3CAPIK3CGMAPT
SCHEMBL29576548 0.77 ALDH1A1 (0.43) PIK3CDPIK3R1PIK3CAPIK3CGMAPT
SCHEMBL30906935 0.77 KDM4E (0.59) PTGDR2PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL3815099 0.77 KDM4E (0.59) PTGDR2PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL9860410 0.77 KDM1A (0.42) MAT2A

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
CN-113950473-A Next generation modulators of interferon gene Stimulators (STING) 雷沃医疗有限公司 2022-01-18 CN disclosed