SCHEMBL7315549

SCHEMBL7315549

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 6/20 0.52
CSNK2A1 P68400 6/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
RARB P10826 8/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
CSNK2B P67870 1/20 0.44
RARG P13631 1/20 0.44
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR1 P21453 1/20 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
SCHEMBL7326808 0.88 TLR8 (0.48) CSNK2A2CSNK2A1MEN1ALDH1A1MAPT
SCHEMBL7331946 0.87 L3MBTL1 (0.56) L3MBTL1RARBMEN1ALDH1A1RARA
SCHEMBL2388202 0.87 L3MBTL1 (0.56) L3MBTL1RARBMEN1ALDH1A1RARA
SCHEMBL2952564 0.85 L3MBTL1 (0.57) L3MBTL1RARBMEN1ALDH1A1RARA
SCHEMBL7323285 0.82 NPC1 (0.49) L3MBTL1RARBMEN1ALDH1A1RARA
SCHEMBL8092207 0.79 HDAC3 (0.48) CSNK2A2CSNK2A1NPC1RAB9ASMN1; SMN2
SCHEMBL6538933 0.78 RARB (0.76) CSNK2A2CSNK2A1RARBMEN1ALDH1A1
SCHEMBL10401732 0.77 L3MBTL1 (0.78) L3MBTL1RARBMEN1ALDH1A1RARA
SCHEMBL6538640 0.76 RARB (0.75) CSNK2A2CSNK2A1RARBMEN1ALDH1A1
SCHEMBL14147802 0.76 SMPD1 (0.43) MAPTRAB9AS1PR1

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