SCHEMBL10689686

SCHEMBL10689686

O=C1OC(=O)c2cc(N3CCCC3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALOX15 P16050 3/20 0.56
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KIF11 P52732 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 2/20 0.43
TERT O14746 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CCR6 P51684 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
S100B P04271 2/20 0.42

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
SCHEMBL10688892 0.98 ALDH1A1 (0.54) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL25557002 0.94 ALDH1A1 (0.49) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL26761798 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL29204334 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL9512923 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL14983932 0.77 ALDH1A1 (0.56) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL11517898 0.77 KMT2A (0.49) ALDH1A1MEN1KMT2AALOX15MAPT
SCHEMBL14983928 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL5631829 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL11517116 0.76 L3MBTL1 (0.49) ALDH1A1HSD17B10MEN1KMT2AALOX15

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
US-4748148-A Recording system utilizing phthalide derivatives as colorless chromogenic material NEW OJI PAPER CO., LTD. (JP) 1988-05-31 US disclosed
EP-0062544-B1 NEW PHTHALIDE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND RECORDING SYSTEM UTILIZING THE SAME AS COLOURLESS CHROMOGENIC MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-09-30 EP disclosed
US-4641160-A Recording system utilizing phthalide derivatives as colorless chromogenic material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1987-02-03 US disclosed
EP-0062544-A1 New phthalide derivatives, process for preparing the same and recording system utilizing the same as colourless chromogenic material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1982-10-13 EP disclosed