SCHEMBL7994909

SCHEMBL7994909

CC(C)(C)c1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(N)cc3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RECQL P46063 1/20 0.52
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
KDR P35968 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ADORA2A P29274 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PSMD14 O00487 1/20 0.42
HPGD P15428 1/20 0.42
HK1 P19367 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
Hydrochloric Acid SCHEMBL7988505 0.99 RAB9A (0.51) RAB9AL3MBTL1LMNANPC1SMN1; SMN2
SCHEMBL7991587 0.92 RAB9A (0.57) RAB9AL3MBTL1LMNANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7995196 0.90 GCGR (0.46) RAB9AL3MBTL1NPC1SMN1; SMN2MAPK1
SCHEMBL7977619 0.90 RAB9A (0.52) RAB9AL3MBTL1LMNANPC1SMN1; SMN2
SCHEMBL7994950 0.89 AGER (0.43) RAB9AL3MBTL1NPC1SMN1; SMN2MAPK1
SCHEMBL7977950 0.89 MAPT (0.53) RAB9AL3MBTL1LMNANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7992237 0.89 AGER (0.43) RAB9AL3MBTL1NPC1SMN1; SMN2MAPK1
SCHEMBL7991665 0.88 RAB9A (0.53) RAB9AL3MBTL1LMNANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7992218 0.88 AURKA (0.47) RAB9AL3MBTL1LMNANPC1SMN1; SMN2
SCHEMBL7991953 0.87 RAB9A (0.52) RAB9AL3MBTL1LMNANPC1SMN1; SMN2

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