SCHEMBL7977680

SCHEMBL7977680

O=C(Nc1nccs1)c1nc(-c2ccc(OCc3ccccc3)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
DHODH Q02127 1/20 0.47
PRMT5 O14744 5/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL7989548 0.91 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7989535 0.91 MAPK1 (0.61) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL7988792 0.91 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7989944 0.91 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7978324 0.87 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7988486 0.86 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7990080 0.85 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7995812 0.85 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7989527 0.85 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7978079 0.85 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1TSHR

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