SCHEMBL9730930

SCHEMBL9730930

CC1=C(C)C(=O)C(N)=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NSD2 O96028 2/20 0.38
PTPN1 P18031 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TGM2 P21980 1/20 0.35
PADI1 Q9ULC6 1/20 0.35
PADI3 Q9ULW8 1/20 0.35
PADI4 Q9UM07 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
S100A4 P26447 1/20 0.35
TDP2 O95551 1/20 0.31
PAX8 Q06710 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 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
SCHEMBL11247618 0.75 SLC2A1 (0.45) TDP2SLC2A1
SCHEMBL19537465 0.74
SCHEMBL22805 0.72 MAPT (0.46) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL18992911 0.70 MAPT (0.41) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL199946 0.68 XIAP (0.45) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL30003056 0.67 PADI1 (0.39) MAPTHTTTP53SMN1; SMN2NSD2
SCHEMBL28880688 0.67 NSD2 (0.41) MAPTHTTNSD2PTPN1HKDC1
SCHEMBL11658103 0.67 MAPT (0.41) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL4964070 0.66 NSD2 (0.43) MAPTHTTNSD2PTPN1HKDC1
SCHEMBL21819582 0.66 NSD2 (0.43) MAPTHTTNSD2PTPN1HKDC1

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
US-5104874-A Cyclooxygenase and lipoxygenase inhibitob PFIZER INC. (US) 1992-04-14 US disclosed
EP-0443710-A1 Benzoquinone antiallergy and antiinflammatory agents PFIZER INC. (US) 1991-08-28 EP disclosed