SCHEMBL7977461

SCHEMBL7977461

CC(=O)OCCc1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(Cl)cc3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
FFAR2 O15552 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7977686 0.92 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7995812 0.92 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7988160 0.88 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7991912 0.87 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7988617 0.87 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7990144 0.86 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7978170 0.85 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7995605 0.85 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7977714 0.84 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7991742 0.84 LMNA (0.53) MEN1KMT2AMAPTALDH1A1SMN1; 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