SCHEMBL7322694

SCHEMBL7322694

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.48
HPGDS O60760 1/20 0.47
ALKBH2 Q6NS38 1/20 0.47
RAB9A P51151 6/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.43
MAP4K4 O95819 1/20 0.42
TLR8 Q9NR97 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NFKB1 P19838 2/20 0.40

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
SCHEMBL7325573 0.86 CA12 (0.53) MAPKAPK2HPGDSALKBH2RAB9AMAPT
SCHEMBL8085746 0.84 HPGDS (0.68) HPGDSALKBH2RAB9AMAPTNPC1
SCHEMBL4447424 0.84 LMNA (0.58) HPGDSALKBH2RAB9AMAPTNPC1
SCHEMBL7320665 0.82 ALDH1A1 (0.57) MAPKAPK2HPGDSALKBH2RAB9AMAPT
SCHEMBL7323051 0.82 HPGDS (0.45) MAPKAPK2HPGDSALKBH2RAB9AMAPT
SCHEMBL7320411 0.81 ALDH1A1 (0.49) MAPKAPK2HPGDSALKBH2RAB9AMAPT
SCHEMBL23205933 0.81 CYP1A2 (0.43) MAPKAPK2HPGDSALKBH2RAB9AMAPT
SCHEMBL27680338 0.81 ALKBH2 (0.72) HPGDSALKBH2RAB9AMAPTNPC1
SCHEMBL10139147 0.81 MAP4K4 (0.56) MAPKAPK2HPGDSALKBH2RAB9AMAPT
SCHEMBL7321749 0.80 CA12 (0.52) HPGDSALKBH2RAB9AMAPTNPC1

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