SCHEMBL22213402

SCHEMBL22213402

NC1=CCCC(c2ccccc2N)=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 3/20 0.40
IDO1 P14902 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
ADORA2A P29274 2/20 0.31
PTPRC P08575 1/20 0.31
ACE2 Q9BYF1 1/20 0.30
KDM4E B2RXH2 3/20 0.30
NPC1 O15118 3/20 0.30
GAA P10253 3/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 2/20 0.30

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
SCHEMBL20651349 0.77 HSD17B10 (0.39) ALDH1A1HSD17B10CYP3A4ADORA2ANPC1
SCHEMBL8784661 0.73 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10IDO1SMN1; SMN2
SCHEMBL5189044 0.72 PTGS2 (0.47) ALDH1A1L3MBTL1HSD17B10IDO1MEN1
SCHEMBL4850917 0.71 PTGS2 (0.46) ALDH1A1L3MBTL1HSD17B10IDO1TDP1
SCHEMBL4856447 0.71 PTGS2 (0.46) ALDH1A1L3MBTL1HSD17B10IDO1TDP1
SCHEMBL4850921 0.71 PTGS2 (0.46) ALDH1A1L3MBTL1HSD17B10IDO1TDP1
SCHEMBL21092252 0.71 SIGMAR1 (0.33) ALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL10287421 0.71 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10IDO1SMN1; SMN2
SCHEMBL3734647 0.69 ALDH1A1 (0.43) ALDH1A1L3MBTL1HSD17B10IDO1ADORA2A
SCHEMBL9373290 0.69 PTGS2 (0.45) ALDH1A1L3MBTL1HSD17B10TDP1NPSR1

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
EP-3680268-B1 EPOXY RESIN, EPOXY RESIN COMPOSITION, EPOXY RESIN CURED PRODUCT, AND COMPOSITE MATERIAL RESONAC CORP (JP) 2023-09-13 EP disclosed
EP-3680268-A1 EPOXY RESIN, EPOXY RESIN COMPOSITION, EPOXY RESIN CURED PRODUCT, AND COMPOSITE MATERIAL Hitachi Chemical Company, Ltd. (JP) 2020-07-15 EP disclosed