SCHEMBL7325573

SCHEMBL7325573

COC(=O)c1cnn(-c2ccc(O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MAPT P10636 7/20 0.50
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MELK Q14680 1/20 0.49
HPGDS O60760 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
HPGD P15428 3/20 0.47
MAPKAPK2 P49137 1/20 0.46
GAA P10253 2/20 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
SCHEMBL7322694 0.86 MAPKAPK2 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL8085746 0.86 HPGDS (0.68) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7320665 0.84 ALDH1A1 (0.57) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7323051 0.84 HPGDS (0.45) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7320411 0.82 ALDH1A1 (0.49) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7326021 0.81 ALDH1A1 (0.48) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7321749 0.81 CA12 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL27166306 0.79 NPC1 (0.48) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL16065314 0.79 MEN1 (0.41) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL15153223 0.78 ATM (0.46) MAPTRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed