SCHEMBL7990144

SCHEMBL7990144

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 3/20 0.53
MGAM O43451 2/20 0.53
SI P14410 2/20 0.53
MGAM2 Q2M2H8 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
FFAR2 O15552 1/20 0.50
POLB P06746 2/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL7988160 0.92 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7978170 0.91 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7991912 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7990080 0.89 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7995605 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7977923 0.88 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL7991772 0.88 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7978324 0.87 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7995812 0.87 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7988617 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTNPC1

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