SCHEMBL7326808

SCHEMBL7326808

CCCCCCCCCCn1cc(-c2nnc(-c3ccc(C(=O)OC)cc3)s2)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.48
CSNK2A2 P19784 3/20 0.44
CSNK2A1 P68400 3/20 0.44
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
S1PR1 P21453 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
MGLL Q99685 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
EP300 Q09472 1/20 0.39

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
SCHEMBL7315549 0.88 CSNK2A2 (0.52) CSNK2A2CSNK2A1MAPTSMN1; SMN2S1PR1
SCHEMBL7334034 0.88 TLR8 (0.55) TLR8MAPTSMN1; SMN2ALDH1A1MGLL
SCHEMBL7314668 0.83 TLR8 (0.48) TLR8MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8092207 0.82 HDAC3 (0.48) CSNK2A2CSNK2A1SMN1; SMN2GAA
SCHEMBL7315645 0.80 L3MBTL1 (0.53) TLR8MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6539186 0.79 CYP4A11 (0.56) CSNK2A2CSNK2A1MAPTSMN1; SMN2KDM4E
SCHEMBL7320147 0.79 TLR8 (0.50) TLR8MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6539250 0.78 CYP4A11 (0.57) CSNK2A2CSNK2A1MAPTSMN1; SMN2KDM4E
SCHEMBL7331757 0.78 RARB (0.56) CSNK2A2CSNK2A1MAPTSMN1; SMN2LMNA
SCHEMBL6539009 0.78 RARB (0.56) CSNK2A2CSNK2A1MAPTSMN1; SMN2LMNA

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