SCHEMBL7977876

SCHEMBL7977876

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
GSK3B P49841 1/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
AURKA O14965 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PPARG P37231 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 3/20 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
SCHEMBL7991768 0.90 MEN1 (0.56) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7989403 0.89 AURKA (0.51) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7988697 0.89 GCK (0.42) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7977513 0.86 MEN1 (0.54) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7995070 0.86 MEN1 (0.54) MEN1KMT2AMAPTGAARAB9A
Hydrochloric Acid SCHEMBL7977943 0.85 MEN1 (0.53) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7977950 0.85 MAPT (0.53) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7978582 0.83 RAB9A (0.52) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7988571 0.82 MAPT (0.55) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7988634 0.82 MEN1 (0.55) MEN1KMT2AMAPTGAARAB9A

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