SCHEMBL28598352

SCHEMBL28598352

OCCc1coc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
NOTUM Q6P988 2/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ACMSD Q8TDX5 1/20 0.36
PTGER4 P35408 1/20 0.36
FAAH O00519 2/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.35
BACE1 P56817 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL14848514 0.85 NOTUM (0.46) TDP1NOTUMPTGER4ALDH1A1RAB9A
SCHEMBL28595171 0.82 ALDH1A1 (0.51) NOTUMALDH1A1RAB9AMAPTKDM4E
SCHEMBL10177554 0.77 TP53 (0.44) TDP1NOTUMPTGER4ALDH1A1RAB9A
SCHEMBL10177755 0.77 TAAR1 (0.48) TDP1NOTUMPTGER4ALDH1A1RAB9A
SCHEMBL14848509 0.76 HTT (0.53) TDP1PTGER4ALDH1A1FFAR1MAPT
SCHEMBL8977412 0.73 IDH1 (0.54) TDP1CYP4F2CYP4A11HSD17B10HIF1A
SCHEMBL28637299 0.73 HPGD (0.46) TDP1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL28854523 0.73 MAPK14 (0.38) FAAHALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22251662 0.69 TDP1 (0.71) TDP1RAB9ASMN1; SMN2FFAR1GAA
SCHEMBL1938644 0.69 TDP1 (0.71) TDP1RAB9ASMN1; SMN2FFAR1GAA

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-110305143-B Furan [2,3-c ] pyridine derivative and preparation method and application thereof 济南新科医药科技有限公司 2021-03-09 CN disclosed