SCHEMBL7977835

SCHEMBL7977835

CC(=O)OCc1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL7990016 0.92 RAB9A (0.42) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL7977588 0.88 SIRT2 (0.43) RAB9ANPC1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL7989998 0.86 ALDH1A1 (0.42) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL6707244 0.86 RAB9A (0.48) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL7977710 0.86 RAB9A (0.52) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL7995180 0.85 MAPK1 (0.53) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL7994926 0.84 RAB9A (0.45) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL7991875 0.84 RAB9A (0.47) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL7991983 0.84 MAPK13 (0.50) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL7991541 0.84 RAB9A (0.44) RAB9ANPC1MEN1KMT2AMAPK1

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