SCHEMBL10964731

SCHEMBL10964731

O=C(O)C1=C(Nc2ccc(Nc3ccccc3)cc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ DHODH Q02127 1/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HCAR2 Q8TDS4 8/20 0.45

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
SCHEMBL3915266 0.77 DHODH (0.77) CASP3SENP7DHODHMAPTGAA
SCHEMBL1415624 0.76 CASP3 (0.45) CASP3SENP7DHODHMAPK14MAPK13
SCHEMBL10803715 0.75 MAPT (0.50) CASP3DHODHALDH1A1HSD17B10TSHR
SCHEMBL11409753 0.72 ALDH1A1 (0.38) DHODHALDH1A1HSD17B10ALOX15TSHR
SCHEMBL8022715 0.72 MAPT (0.50) CASP3DHODHALDH1A1HSD17B10TSHR
SCHEMBL9130763 0.72 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11MAPT
Diphenylamine SCHEMBL8119680 0.72 HSD17B10 (0.80) CASP3SENP7MAPK14MAPK13MAPK12
Diphenylamine SCHEMBL27671770 0.72 HSD17B10 (0.80) CASP3SENP7MAPK14MAPK13MAPK12
Diphenylamine SCHEMBL1691353 0.72 HSD17B10 (0.80) CASP3SENP7MAPK14MAPK13MAPK12
Diphenylamine SCHEMBL27851138 0.72 HSD17B10 (0.80) CASP3SENP7MAPK14MAPK13MAPK12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028445-B1 ACRIDINONES, THEIR PREPARATION AND USE; INTERMEDIATES AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1985-10-23 — — EP claimed
EP-0028445-B1 ACRIDINONES, THEIR PREPARATION AND USE; INTERMEDIATES AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1985-10-23 — — EP disclosed
EP-0028445-A2 Acridinones, their preparation and use; intermediates and their preparation CIBA-GEIGY AG (CH) 1981-05-13 — — EP disclosed
US-4258190-A BY REACTING CYCLOHEXANONE AND AN OXALATE ESTER TO FORM A CYCLOHEXANONECARBOXYLATE INTERMEDIATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 — — US disclosed
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