SCHEMBL7978052

SCHEMBL7978052

O=C(Nc1nccs1)c1nc(-c2ccc(N3CCOCC3)cc2)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
LRRK2 Q5S007 1/20 0.43
AURKA O14965 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 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
SCHEMBL7989081 0.93 GAA (0.45) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7988176 0.92 ALDH1A1 (0.44) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7988131 0.92 KDM4E (0.41) PARP1NPC1RAB9AMEN1ALDH1A1
SCHEMBL7989458 0.91 LMNA (0.48) PARP1NPC1RAB9AMEN1ALDH1A1
SCHEMBL7988996 0.86 RAB9A (0.44) PARP1NPC1RAB9AMEN1ALDH1A1
SCHEMBL7991733 0.84 MEN1 (0.50) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7989878 0.84 GAA (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7977735 0.84 LMNA (0.50) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7991552 0.83 LMNA (0.43) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7991953 0.83 RAB9A (0.52) NPC1RAB9AMEN1ALDH1A1KMT2A

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