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
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