SCHEMBL7318801

SCHEMBL7318801

CCCCCCCCCCn1cc(C(=O)NN)cn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PLA2G4A P47712 1/20 0.40
HPGD P15428 1/20 0.40
SMPD1 P17405 4/20 0.39
TLR8 Q9NR97 2/20 0.38
KLKB1 P03952 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL21942690 0.85 L3MBTL1 (0.55) L3MBTL1PLA2G4ASMPD1TLR8KMT2A
SCHEMBL18321196 0.83 L3MBTL1 (0.57) L3MBTL1PLA2G4ASMPD1TLR8KMT2A
SCHEMBL7315645 0.82 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1MAPTNPSR1
SCHEMBL10401732 0.81 L3MBTL1 (0.78) L3MBTL1ALDH1A1MAPTPLA2G4AKMT2A
SCHEMBL22979535 0.81 LMNA (0.57) L3MBTL1KDM4EALDH1A1LMNAMAPT
SCHEMBL31679685 0.80 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1LMNAMAPT
SCHEMBL7320147 0.79 TLR8 (0.50) L3MBTL1KDM4EALDH1A1MAPTPLA2G4A
SCHEMBL27815356 0.78 L3MBTL1 (0.58) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL15000399 0.77 ACHE (0.61) L3MBTL1PLA2G4ASMPD1TLR8
SCHEMBL177504 0.76 L3MBTL1 (0.81) L3MBTL1PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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