SCHEMBL7989081

SCHEMBL7989081

O=C(Nc1nccs1)c1nc(-c2ccc(N3CCCC3)cc2)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MGAM O43451 1/20 0.45
MAPT P10636 1/20 0.45
SI P14410 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
AURKA O14965 2/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
CHEK2 O96017 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL7988176 0.99 ALDH1A1 (0.44) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL7978052 0.93 PARP1 (0.46) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL7977735 0.91 LMNA (0.50) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL7989878 0.91 GAA (0.49) GAAMEN1KMT2ANPC1MGAM
SCHEMBL7977964 0.90 LMNA (0.49) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL7989394 0.88 KMT2A (0.53) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL7995795 0.88 KMT2A (0.52) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL7977725 0.88 FGFR1 (0.42) GAAMEN1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL7977674 0.87 KMT2A (0.51) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL7988131 0.87 KDM4E (0.41) GAAMEN1ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed